[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine

C13H15ClN4 — CID 82203359

IUPAC[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C13H15ClN4/c14-11-5-1-9(2-6-11)8-18-13(10-3-4-10)12(7-15)16-17-18/h1-2,5-6,10H,3-4,7-8,15H2
InChIKeyZPSRRDBOICDWGO-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.32
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine

[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine (PubChem CID 82203359) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine
PubChem CID82203359
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine
SMILESNCc1nnn(Cc2ccc(Cl)cc2)c1C1CC1
InChIInChI=1S/C13H15ClN4/c14-11-5-1-9(2-6-11)8-18-13(10-3-4-10)12(7-15)16-17-18/h1-2,5-6,10H,3-4,7-8,15H2
InChIKeyZPSRRDBOICDWGO-UHFFFAOYSA-N
XLogP2.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[1-[(4-chlorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
CID 82203350
[1-[(3-chlorophenyl)methyl]-5-cyclohexyltriazol-4-yl]methanamine
CID 82203673
1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 62055610
[5-cyclobutyl-1-[(2,6-dichlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943290
[5-tert-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203357
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
[5-cyclohexyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanamine
CID 82211827
5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
CID 79547585
[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203355
7-chloro-3-[(4-chlorophenyl)methyl]-5-cyclopropyltriazolo[4,5-d]pyrimidine
CID 71480209
5-cyclopropyl-1-(pyridin-4-ylmethyl)triazol-4-amine
CID 79547309

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine (CID 82203359) is [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine is NCc1nnn(Cc2ccc(Cl)cc2)c1C1CC1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine?
The InChIKey is ZPSRRDBOICDWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-11-5-1-9(2-6-11)8-18-13(10-3-4-10)12(7-15)16-17-18/h1-2,5-6,10H,3-4,7-8,15H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine?
[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine has a molecular weight of 262.74 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine is sourced from PubChem (CID 82203359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).