[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine

C12H15ClN4 — CID 82200808

IUPAC[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4/c1-2-3-12-11(8-14)15-16-17(12)10-6-4-9(13)5-7-10/h4-7H,2-3,8,14H2,1H3
InChIKeyLPAQWFLFFRXBBZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.33
Rot. Bonds4

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

[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine (PubChem CID 82200808) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
PubChem CID82200808
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4/c1-2-3-12-11(8-14)15-16-17(12)10-6-4-9(13)5-7-10/h4-7H,2-3,8,14H2,1H3
InChIKeyLPAQWFLFFRXBBZ-UHFFFAOYSA-N
XLogP2.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82196629
[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
CID 94938513
ethyl 4-[4-(aminomethyl)-5-propyltriazol-1-yl]benzoate
CID 82195040
(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
CID 82198141
[5-butyl-1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 94939043
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
[5-butyl-1-(3-chloro-4-methylphenyl)triazol-4-yl]methanamine
CID 82198903
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
CID 82195870
[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203355
[5-butyl-1-(4-chloro-3-nitrophenyl)triazol-4-yl]methanamine
CID 94938073

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine (CID 82200808) is [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine is CCCc1c(CN)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine?
The InChIKey is LPAQWFLFFRXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-2-3-12-11(8-14)15-16-17(12)10-6-4-9(13)5-7-10/h4-7H,2-3,8,14H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine?
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine has a molecular weight of 250.73 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine is sourced from PubChem (CID 82200808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).