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

C14H20N4O — CID 82196254

IUPAC[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
SMILESCCCCc1c(CN)nnn1-c1ccc(OC)cc1
InChIInChI=1S/C14H20N4O/c1-3-4-5-14-13(10-15)16-17-18(14)11-6-8-12(19-2)9-7-11/h6-9H,3-5,10,15H2,1-2H3
InChIKeyVIACDKNWBAPHRY-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.08
Rot. Bonds6

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

[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine (PubChem CID 82196254) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
PubChem CID82196254
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
SMILESCCCCc1c(CN)nnn1-c1ccc(OC)cc1
InChIInChI=1S/C14H20N4O/c1-3-4-5-14-13(10-15)16-17-18(14)11-6-8-12(19-2)9-7-11/h6-9H,3-5,10,15H2,1-2H3
InChIKeyVIACDKNWBAPHRY-UHFFFAOYSA-N
XLogP2.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
CID 94938513
[5-butyl-1-(3-chloro-4-methylphenyl)triazol-4-yl]methanamine
CID 82198903
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[1-(3-bromophenyl)-5-butyltriazol-4-yl]methanamine
CID 94937588
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
5-[4-(aminomethyl)-5-butyltriazol-1-yl]-2-hydroxybenzoic acid
CID 82199292
[5-(3-phenoxypropyl)-1-phenyltriazol-4-yl]methanamine
CID 94939895
[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
CID 82198492
ethyl 4-[4-(aminomethyl)-5-propyltriazol-1-yl]benzoate
CID 82195040

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine?
The IUPAC name of [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine (CID 82196254) is [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine is CCCCc1c(CN)nnn1-c1ccc(OC)cc1.
What is the InChIKey of [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine?
The InChIKey is VIACDKNWBAPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-4-5-14-13(10-15)16-17-18(14)11-6-8-12(19-2)9-7-11/h6-9H,3-5,10,15H2,1-2H3.
What are the key properties of [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine?
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82196254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).