2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine

C11H13ClN4 — CID 82476554

IUPAC2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCc1ccc(Cl)cc1-n1cnnc1CCN
InChIInChI=1S/C11H13ClN4/c1-8-2-3-9(12)6-10(8)16-7-14-15-11(16)4-5-13/h2-3,6-7H,4-5,13H2,1H3
InChIKeyQWZYYXWAPYGFLZ-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.73
Rot. Bonds3

About 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine

2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82476554) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID82476554
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCc1ccc(Cl)cc1-n1cnnc1CCN
InChIInChI=1S/C11H13ClN4/c1-8-2-3-9(12)6-10(8)16-7-14-15-11(16)4-5-13/h2-3,6-7H,4-5,13H2,1H3
InChIKeyQWZYYXWAPYGFLZ-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82487209
2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol
CID 59127390
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
4-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]-N,N-diethylaniline
CID 98016995
3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol
CID 84672362
2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072788
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
[1-(5-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82091414
5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
CID 82467413
[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
CID 84614934

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine (CID 82476554) is 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine is Cc1ccc(Cl)cc1-n1cnnc1CCN.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is QWZYYXWAPYGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8-2-3-9(12)6-10(8)16-7-14-15-11(16)4-5-13/h2-3,6-7H,4-5,13H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine?
2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 236.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82476554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).