1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile

C10H10N6O — CID 62951402

IUPAC1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CCn2cc(N)ccc2=O)n1
InChIInChI=1S/C10H10N6O/c11-5-9-13-7-16(14-9)4-3-15-6-8(12)1-2-10(15)17/h1-2,6-7H,3-4,12H2
InChIKeyMJYWKHAPRWSANY-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.41
Rot. Bonds3

About 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile

1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 62951402) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile
PubChem CID62951402
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CCn2cc(N)ccc2=O)n1
InChIInChI=1S/C10H10N6O/c11-5-9-13-7-16(14-9)4-3-15-6-8(12)1-2-10(15)17/h1-2,6-7H,3-4,12H2
InChIKeyMJYWKHAPRWSANY-UHFFFAOYSA-N
XLogP-0.41
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile (CID 62951402) is 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(CCn2cc(N)ccc2=O)n1.
What is the InChIKey of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is MJYWKHAPRWSANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c11-5-9-13-7-16(14-9)4-3-15-6-8(12)1-2-10(15)17/h1-2,6-7H,3-4,12H2.
What are the key properties of 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile?
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 62951402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).