2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol

C10H12N4O — CID 61360816

IUPAC2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol
SMILESOCCNc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C10H12N4O/c15-6-5-11-9-3-1-8(2-4-9)10-12-7-13-14-10/h1-4,7,11,15H,5-6H2,(H,12,13,14)
InChIKeyNGOVVSALXRIAQK-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.88
Rot. Bonds4

About 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol

2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol (PubChem CID 61360816) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol
PubChem CID61360816
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol
SMILESOCCNc1ccc(-c2ncn[nH]2)cc1
InChIInChI=1S/C10H12N4O/c15-6-5-11-9-3-1-8(2-4-9)10-12-7-13-14-10/h1-4,7,11,15H,5-6H2,(H,12,13,14)
InChIKeyNGOVVSALXRIAQK-UHFFFAOYSA-N
XLogP0.88
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol 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 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol?
The IUPAC name of 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol (CID 61360816) is 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol?
The canonical SMILES for 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol is OCCNc1ccc(-c2ncn[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol?
The InChIKey is NGOVVSALXRIAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c15-6-5-11-9-3-1-8(2-4-9)10-12-7-13-14-10/h1-4,7,11,15H,5-6H2,(H,12,13,14).
What are the key properties of 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol?
2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol has a molecular weight of 204.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-1,2,4-triazol-5-yl)anilino]ethanol is sourced from PubChem (CID 61360816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).