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

C14H19ClN4 — CID 82203355

IUPAC[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
SMILESCCCCc1c(CN)nnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN4/c1-2-3-4-14-13(9-16)17-18-19(14)10-11-5-7-12(15)8-6-11/h5-8H,2-4,9-10,16H2,1H3
InChIKeyOISNCYNZAOWCJB-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.78
Rot. Bonds6

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

[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine (PubChem CID 82203355) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
PubChem CID82203355
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
SMILESCCCCc1c(CN)nnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN4/c1-2-3-4-14-13(9-16)17-18-19(14)10-11-5-7-12(15)8-6-11/h5-8H,2-4,9-10,16H2,1H3
InChIKeyOISNCYNZAOWCJB-UHFFFAOYSA-N
XLogP2.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203267
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
5-butyl-1-[(4-chlorophenyl)methyl]triazole-4-carbonitrile
CID 82203308
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
[5-tert-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203357
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine
CID 82203359
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
[1-[(3,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 94943700
(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
CID 94944971

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine (CID 82203355) is [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine is CCCCc1c(CN)nnn1Cc1ccc(Cl)cc1.
What is the InChIKey of [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is OISNCYNZAOWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-2-3-4-14-13(9-16)17-18-19(14)10-11-5-7-12(15)8-6-11/h5-8H,2-4,9-10,16H2,1H3.
What are the key properties of [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine?
[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 278.79 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82203355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).