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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Related Compounds

4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
CID 2794785
2-{5-[4-(dimethylamino)benzyl]-3-methyl-1H-1,2,4-triazol-1-yl}ethanol
CID 74235260
2-[4-[(E)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]-N-methylanilino]ethanol
CID 6905986
4-methyl-N-[4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridine-1(2H)-carboxamide
CID 72873592
N-[(1S)-1-cyclobutylethyl]-3-(1-methyl-1,2,4-triazol-3-yl)aniline
CID 99837101
2-[3-cyclopropyl-5-(4-pyrrolidin-1-ylphenyl)-1H-1,2,4-triazol-1-yl]ethanol
CID 129624441
(2S)-1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
CID 164631133
2-[3-[2-[3-(Trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol
CID 142468012
N-[(4-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686604
N-[(3-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686606
N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686678
5-Fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55107304

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).