2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol

C13H17ClN4O — CID 131902122

IUPAC2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)(N)c1nc(-c2ccc(Cl)cc2)nn1CCO
InChIInChI=1S/C13H17ClN4O/c1-13(2,15)12-16-11(17-18(12)7-8-19)9-3-5-10(14)6-4-9/h3-6,19H,7-8,15H2,1-2H3
InChIKeyZWVLDDCHQLXCAX-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.78
Rot. Bonds4

About 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol

2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 131902122) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID131902122
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)(N)c1nc(-c2ccc(Cl)cc2)nn1CCO
InChIInChI=1S/C13H17ClN4O/c1-13(2,15)12-16-11(17-18(12)7-8-19)9-3-5-10(14)6-4-9/h3-6,19H,7-8,15H2,1-2H3
InChIKeyZWVLDDCHQLXCAX-UHFFFAOYSA-N
XLogP1.78
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-chlorophenyl)-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-1,5,5-trimethylpyrrolidin-2-one
CID 131913892
N-[5-(4-chlorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-2,2,2-trifluoroacetamide
CID 156612581
1-[5-amino-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]pentan-1-one
CID 46269766
5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
CID 136556765
2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]ethanol
CID 10638406
tert-butyl N-[2-(2-hydroxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]-N-methylcarbamate
CID 91324248
ethyl 2-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 17079437
2-[4-[2-(4-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-yl]piperazin-1-yl]ethanol
CID 22997421
2-[4-[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]piperazin-1-yl]ethanol
CID 2471386
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128680
ethyl 2-[[5-(4-chlorophenyl)-4-(2-hydroxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 818299
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 136543276

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol (CID 131902122) is 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol is CC(C)(N)c1nc(-c2ccc(Cl)cc2)nn1CCO.
What is the InChIKey of 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is ZWVLDDCHQLXCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-13(2,15)12-16-11(17-18(12)7-8-19)9-3-5-10(14)6-4-9/h3-6,19H,7-8,15H2,1-2H3.
What are the key properties of 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol?
2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 280.76 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 131902122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).