3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one

C10H13N5O — CID 82993012

IUPAC3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
SMILESCCn1ncnc1Cn1ccc(=O)c(N)c1
InChIInChI=1S/C10H13N5O/c1-2-15-10(12-7-13-15)6-14-4-3-9(16)8(11)5-14/h3-5,7H,2,6,11H2,1H3
InChIKeyLHKPDNGCLBMHCP-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.09
Rot. Bonds3

About 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one

3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one (PubChem CID 82993012) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
PubChem CID82993012
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
SMILESCCn1ncnc1Cn1ccc(=O)c(N)c1
InChIInChI=1S/C10H13N5O/c1-2-15-10(12-7-13-15)6-14-4-3-9(16)8(11)5-14/h3-5,7H,2,6,11H2,1H3
InChIKeyLHKPDNGCLBMHCP-UHFFFAOYSA-N
XLogP0.09
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one (CID 82993012) is 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one is CCn1ncnc1Cn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The InChIKey is LHKPDNGCLBMHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-15-10(12-7-13-15)6-14-4-3-9(16)8(11)5-14/h3-5,7H,2,6,11H2,1H3.
What are the key properties of 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one has a molecular weight of 219.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82993012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).