[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine

C14H20N4 — CID 82195870

IUPAC[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1cc(C)ccc1C
InChIInChI=1S/C14H20N4/c1-4-5-13-12(9-15)16-17-18(13)14-8-10(2)6-7-11(14)3/h6-8H,4-5,9,15H2,1-3H3
InChIKeyVYMBXBGKGFHKLU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds4

About [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine

[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine (PubChem CID 82195870) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
PubChem CID82195870
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1cc(C)ccc1C
InChIInChI=1S/C14H20N4/c1-4-5-13-12(9-15)16-17-18(13)14-8-10(2)6-7-11(14)3/h6-8H,4-5,9,15H2,1-3H3
InChIKeyVYMBXBGKGFHKLU-UHFFFAOYSA-N
XLogP2.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
[5-butyl-1-(2-methyl-5-nitrophenyl)triazol-4-yl]methanamine
CID 82197730
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82196629
1-(5-bromo-2-methylphenyl)-5-propyltriazol-4-amine
CID 79507972
[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 82195856
5-butyl-1-(2,5-dimethylphenyl)triazole-4-carbaldehyde
CID 82195790
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
[5-butyl-1-(3-chloro-4-methylphenyl)triazol-4-yl]methanamine
CID 82198903
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221373
ethyl 4-[4-(aminomethyl)-5-propyltriazol-1-yl]benzoate
CID 82195040
1-(2-fluoro-4-methylphenyl)-5-propyltriazol-4-amine
CID 79502997

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine?
The IUPAC name of [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine (CID 82195870) is [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine is CCCc1c(CN)nnn1-c1cc(C)ccc1C.
What is the InChIKey of [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine?
The InChIKey is VYMBXBGKGFHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-5-13-12(9-15)16-17-18(13)14-8-10(2)6-7-11(14)3/h6-8H,4-5,9,15H2,1-3H3.
What are the key properties of [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine?
[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine is sourced from PubChem (CID 82195870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).