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

C11H13ClN4 — CID 105359722

IUPAC1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H13ClN4/c1-8(13)11-14-7-16(15-11)6-9-2-4-10(12)5-3-9/h2-5,7-8H,6,13H2,1H3
InChIKeyWOJATINWMIUHLP-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.00
Rot. Bonds3

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

1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359722) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359722
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H13ClN4/c1-8(13)11-14-7-16(15-11)6-9-2-4-10(12)5-3-9/h2-5,7-8H,6,13H2,1H3
InChIKeyWOJATINWMIUHLP-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

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Related Compounds

[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol
CID 105359663
1-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359676
1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359536
1-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359607
1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359649
1-[(4-chlorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 174891258
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359524
1-[(4-chlorophenyl)methyl]-1,2,4-triazole-3-carboxylic acid
CID 83824543
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpyrazol-4-amine
CID 83222945
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359666
1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole
CID 973667

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine (CID 105359722) is 1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncn(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is WOJATINWMIUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8(13)11-14-7-16(15-11)6-9-2-4-10(12)5-3-9/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
1-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-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-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).