1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine

C11H13ClN4 — CID 114419923

IUPAC1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C11H13ClN4/c1-8(13)11-7-16(15-14-11)6-9-3-2-4-10(12)5-9/h2-5,7-8H,6,13H2,1H3
InChIKeyDQCBZUSRKZPRGE-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.00
Rot. Bonds3

About 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine

1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine (PubChem CID 114419923) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine
PubChem CID114419923
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C11H13ClN4/c1-8(13)11-7-16(15-14-11)6-9-3-2-4-10(12)5-9/h2-5,7-8H,6,13H2,1H3
InChIKeyDQCBZUSRKZPRGE-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]ethanamine
CID 114419411
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
CID 114419542
1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine
CID 114420053
1-[1-[(4-nitrophenyl)methyl]triazol-4-yl]ethanamine
CID 114419595
1-[1-[(4-chloro-2-nitrophenyl)methyl]triazol-4-yl]ethanamine
CID 114419975
4-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42624006
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-(1-benzyltriazol-4-yl)-N,N-bis[1-(1-benzyltriazol-4-yl)ethyl]ethanamine
CID 175127031

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine (CID 114419923) is 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine is CC(N)c1cn(Cc2cccc(Cl)c2)nn1.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine?
The InChIKey is DQCBZUSRKZPRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8(13)11-7-16(15-14-11)6-9-3-2-4-10(12)5-9/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine?
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine has a molecular weight of 236.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114419923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).