4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one

C5H10N4O2 — CID 13435514

IUPAC4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one
SMILESCc1nn(CCO)c(=O)n1N
InChIInChI=1S/C5H10N4O2/c1-4-7-8(2-3-10)5(11)9(4)6/h10H,2-3,6H2,1H3
InChIKeyNTXKZHMQKJPVDS-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.94
Rot. Bonds2

About 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one

4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one (PubChem CID 13435514) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one
PubChem CID13435514
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one
SMILESCc1nn(CCO)c(=O)n1N
InChIInChI=1S/C5H10N4O2/c1-4-7-8(2-3-10)5(11)9(4)6/h10H,2-3,6H2,1H3
InChIKeyNTXKZHMQKJPVDS-UHFFFAOYSA-N
XLogP-1.94
TPSA86.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-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 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one (CID 13435514) is 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one is Cc1nn(CCO)c(=O)n1N.
What is the InChIKey of 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one?
The InChIKey is NTXKZHMQKJPVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-4-7-8(2-3-10)5(11)9(4)6/h10H,2-3,6H2,1H3.
What are the key properties of 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one?
4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one has a molecular weight of 158.16 g/mol, XLogP of -1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxyethyl)-5-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 13435514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).