1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol

C12H15ClN4O — CID 62118821

IUPAC1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCn1cnnc1CNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4O/c1-17-8-15-16-12(17)7-14-6-11(18)9-2-4-10(13)5-3-9/h2-5,8,11,14,18H,6-7H2,1H3
InChIKeyCHNILUCSLMKTAJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.29
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol

1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol (PubChem CID 62118821) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
PubChem CID62118821
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCn1cnnc1CNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4O/c1-17-8-15-16-12(17)7-14-6-11(18)9-2-4-10(13)5-3-9/h2-5,8,11,14,18H,6-7H2,1H3
InChIKeyCHNILUCSLMKTAJ-UHFFFAOYSA-N
XLogP1.29
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62119737
1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302469
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 63332212
2,2-dimethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63697959
1-(4-chlorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60724752
1-[4-(difluoromethyl)phenyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 115523846
1-(2-bromo-5-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66159960
1-(4-chlorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethanol
CID 82538634
N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 62118270
1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117512
3-[[(S)-[(1S)-1-(4-chlorophenyl)ethyl]sulfinyl]methyl]-4-methyl-1,2,4-triazole
CID 99602099

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol (CID 62118821) is 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol is Cn1cnnc1CNCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The InChIKey is CHNILUCSLMKTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-17-8-15-16-12(17)7-14-6-11(18)9-2-4-10(13)5-3-9/h2-5,8,11,14,18H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol?
1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol has a molecular weight of 266.73 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 62118821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).