5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide

C10H7N5O2 — CID 6412019

IUPAC5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESNC(=O)c1n[nH]n2c1nc(=O)c1ccccc12
InChIInChI=1S/C10H7N5O2/c11-8(16)7-9-12-10(17)5-3-1-2-4-6(5)15(9)14-13-7/h1-4,14H,(H2,11,16)
InChIKeyXAJBECXLYJGSOC-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.33
Rot. Bonds1

About 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide

5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 6412019) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID6412019
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
SMILESNC(=O)c1n[nH]n2c1nc(=O)c1ccccc12
InChIInChI=1S/C10H7N5O2/c11-8(16)7-9-12-10(17)5-3-1-2-4-6(5)15(9)14-13-7/h1-4,14H,(H2,11,16)
InChIKeyXAJBECXLYJGSOC-UHFFFAOYSA-N
XLogP-0.33
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide (CID 6412019) is 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide is NC(=O)c1n[nH]n2c1nc(=O)c1ccccc12.
What is the InChIKey of 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is XAJBECXLYJGSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c11-8(16)7-9-12-10(17)5-3-1-2-4-6(5)15(9)14-13-7/h1-4,14H,(H2,11,16).
What are the key properties of 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide?
5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 229.20 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 6412019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).