6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide

C9H10N6O2 — CID 136666425

IUPAC6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H10N6O2/c16-8-3-7(12-5-13-8)9(17)11-1-2-15-6-10-4-14-15/h3-6H,1-2H2,(H,11,17)(H,12,13,16)
InChIKeyFPYMWJAASAMWSZ-UHFFFAOYSA-N
MW234.22 g/mol
LogP-1.21
Rot. Bonds4

About 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide

6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136666425) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID136666425
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCn1cncn1)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H10N6O2/c16-8-3-7(12-5-13-8)9(17)11-1-2-15-6-10-4-14-15/h3-6H,1-2H2,(H,11,17)(H,12,13,16)
InChIKeyFPYMWJAASAMWSZ-UHFFFAOYSA-N
XLogP-1.21
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide (CID 136666425) is 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide is O=C(NCCn1cncn1)c1cc(=O)[nH]cn1.
What is the InChIKey of 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is FPYMWJAASAMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c16-8-3-7(12-5-13-8)9(17)11-1-2-15-6-10-4-14-15/h3-6H,1-2H2,(H,11,17)(H,12,13,16).
What are the key properties of 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide?
6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 234.22 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).