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

C6H5N5O2 — CID 130927911

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 Name7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID130927911
Molecular FormulaC6H5N5O2
Molecular Weight179.14 g/mol
Exact Mass179.04
IUPAC Name7-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
XLogP-1.48
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).