5-Methyl-2-(1H-tetraazol-5-yl)pyrano(3,2-b)indol-4(5H)-one

HCID 340640

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Basic information

CAS: 70458-61-6
Standard SMILES: Cn1c2ccccc2c2oc(-c3nn[nH]n3)cc(=O)c21
InChIKey: NPXNAEKNDFKQAM-UHFFFAOYSA-N
Molecular formula: C13H9N5O2
Average molar mass: 267.24 g/mol
Monoisotopic mass: 267.07562455

Names & identifiers

Preferred name: 5-Methyl-2-(1H-tetraazol-5-yl)pyrano(3,2-b)indol-4(5H)-one
IUPAC: 5-methyl-2-(2H-tetrazol-5-yl)pyrano[3,2-b]indol-4-one

Names & synonyms

70458-61-6NP0EPP56BQUNII-NP0EPP56BQ5-Methyl-2-(1H-tetraazol-5-yl)pyrano(3,2-b)indol-4(5H)-oneNSC 371661NSC-371661DTXSID402207205-Methyl-2-(1H-tetraazol-5-yl)pyrano[3,2-b]indol-4(5H)-one5-METHYL-2-(2H-TETRAZOL-5-YL)PYRANO(3,2-B)INDOL-4(5H)-ONEPYRANO(3,2-B)INDOL-4(5H)-ONE, 5-METHYL-2-(1H-TETRAZOL-5-YL)-PYRANO(3,2-B)INDOL-4(5H)-ONE, 5-METHYL-2-(2H-TETRAZOL-5-YL)-5-Methyl-2-(2H-tetrazol-5-yl)pyrano[3,2-b]indol-4(5H)-one

Show more names

RefChem:103111DTXCID70143211NSC371661CHEMBL22524SCHEMBL112837605-methyl-2-(1H-tetrazol-5-yl)pyrano[3,2-b]indol-4-one

Database identifiers

CAS: 70458-61-6
PubChem CID: 340640
DTXSID: DTXSID40220720
ChEMBL: CHEMBL22524
UNII: NP0EPP56BQ

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 85.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 454

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