Cas no 58048-32-1 ( )
structure
Product Name:
CAS No:58048-32-1
MF:C6H4N6
MW:160.136158943176
CID:947968
PubChem ID:135424360
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 7H-pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine
- AC1L7RAW
- Tetrazolo< 1,5-c> pyrrolo< 2,3-d> pyrimidin
- NSC239744
- pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine
- NSC-239744
- 58048-32-1
- DTXSID70311175
-
-
- Inchi： 1S/C6H4N6/c1-2-7-5-4(1)6-9-10-11-12(6)3-8-5/h1-3,7H
- InChI Key： BUJHJZRUFWLLOE-UHFFFAOYSA-N
- SMILES： N12C=NC3=C(C=CN3)C1=NN=N2
Computed Properties
- Exact Mass: 160.04992
- Monoisotopic Mass: 160.04974415g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 71.8?2
Experimental Properties
- PSA: 64.71
- LogP: 0.00060
Related Literature
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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