2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol

C13H16N4O — CID 62696230

IUPAC2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol
SMILESOCCNc1ccc(-c2nncn2C2CC2)cc1
InChIInChI=1S/C13H16N4O/c18-8-7-14-11-3-1-10(2-4-11)13-16-15-9-17(13)12-5-6-12/h1-4,9,12,14,18H,5-8H2
InChIKeyOJCHYGXTPZHCGS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.68
Rot. Bonds5

About 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol

2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol (PubChem CID 62696230) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol
PubChem CID62696230
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol
SMILESOCCNc1ccc(-c2nncn2C2CC2)cc1
InChIInChI=1S/C13H16N4O/c18-8-7-14-11-3-1-10(2-4-11)13-16-15-9-17(13)12-5-6-12/h1-4,9,12,14,18H,5-8H2
InChIKeyOJCHYGXTPZHCGS-UHFFFAOYSA-N
XLogP1.68
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol?
The IUPAC name of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol (CID 62696230) is 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol?
The canonical SMILES for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol is OCCNc1ccc(-c2nncn2C2CC2)cc1.
What is the InChIKey of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol?
The InChIKey is OJCHYGXTPZHCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-8-7-14-11-3-1-10(2-4-11)13-16-15-9-17(13)12-5-6-12/h1-4,9,12,14,18H,5-8H2.
What are the key properties of 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol?
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol has a molecular weight of 244.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol is sourced from PubChem (CID 62696230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).