5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide

C13H10N8O2 — CID 12724808

IUPAC5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
SMILESCc1cccc2c(=O)n3[nH]c(C(=O)Nc4nn[nH]n4)cc3nc12
InChIInChI=1S/C13H10N8O2/c1-6-3-2-4-7-10(6)14-9-5-8(18-21(9)12(7)23)11(22)15-13-16-19-20-17-13/h2-5,18H,1H3,(H2,15,16,17,19,20,22)
InChIKeyFAIFDNXHEKAGPR-UHFFFAOYSA-N
MW310.28 g/mol
LogP0.25
Rot. Bonds2

About 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide

5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide (PubChem CID 12724808) has the molecular formula C13H10N8O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide.

Molecular Properties

Compound Name5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
PubChem CID12724808
Molecular FormulaC13H10N8O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
SMILESCc1cccc2c(=O)n3[nH]c(C(=O)Nc4nn[nH]n4)cc3nc12
InChIInChI=1S/C13H10N8O2/c1-6-3-2-4-7-10(6)14-9-5-8(18-21(9)12(7)23)11(22)15-13-16-19-20-17-13/h2-5,18H,1H3,(H2,15,16,17,19,20,22)
InChIKeyFAIFDNXHEKAGPR-UHFFFAOYSA-N
XLogP0.25
TPSA133.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide?
The IUPAC name of 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide (CID 12724808) is 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide.
What is the SMILES notation for 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide?
The canonical SMILES for 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide is Cc1cccc2c(=O)n3[nH]c(C(=O)Nc4nn[nH]n4)cc3nc12.
What is the InChIKey of 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide?
The InChIKey is FAIFDNXHEKAGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N8O2/c1-6-3-2-4-7-10(6)14-9-5-8(18-21(9)12(7)23)11(22)15-13-16-19-20-17-13/h2-5,18H,1H3,(H2,15,16,17,19,20,22).
What are the key properties of 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide?
5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide is sourced from PubChem (CID 12724808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).