7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

Name: 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₅N₅O₂ — CID 130927911

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

SMILESNC(=O)c1cc(=O)n2[nH]cnc2n1

InChIInChI=1S/C6H5N5O2/c7-5(13)3-1-4(12)11-6(10-3)8-2-9-11/h1-2H,(H2,7,13)(H,8,9,10)

InChIKeyHROMRQUPSFIOJA-UHFFFAOYSA-N

MW179.14 g/mol

LogP-1.48

Rot. Bonds1

About 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 130927911) has the molecular formula C₆H₅N₅O₂ and a molecular weight of 179.14 g/mol. Its IUPAC name is 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name	7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID	130927911
Molecular Formula	C₆H₅N₅O₂
Molecular Weight	179.14 g/mol
Exact Mass	179.04
IUPAC Name	7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILES	NC(=O)c1cc(=O)n2[nH]cnc2n1
InChI	InChI=1S/C6H5N5O2/c7-5(13)3-1-4(12)11-6(10-3)8-2-9-11/h1-2H,(H2,7,13)(H,8,9,10)
InChIKey	HROMRQUPSFIOJA-UHFFFAOYSA-N
XLogP	-1.48
TPSA	106.14 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	1
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.14
LogP ≤ 5	-1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 130927911) is 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is NC(=O)c1cc(=O)n2[nH]cnc2n1.

What is the InChIKey of 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is HROMRQUPSFIOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2/c7-5(13)3-1-4(12)11-6(10-3)8-2-9-11/h1-2H,(H2,7,13)(H,8,9,10).

What are the key properties of 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?

7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 179.14 g/mol, XLogP of -1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 130927911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 130927911 — identifiers, structure, computed properties (public domain)

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