(5-butyl-1-phenyltriazol-4-yl)methanamine

C13H18N4 — CID 82200262

IUPAC(5-butyl-1-phenyltriazol-4-yl)methanamine
SMILESCCCCc1c(CN)nnn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-2-3-9-13-12(10-14)15-16-17(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10,14H2,1H3
InChIKeyGSYJTQKBSCQXIH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.07
Rot. Bonds5

About (5-butyl-1-phenyltriazol-4-yl)methanamine

(5-butyl-1-phenyltriazol-4-yl)methanamine (PubChem CID 82200262) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (5-butyl-1-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-butyl-1-phenyltriazol-4-yl)methanamine
PubChem CID82200262
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(5-butyl-1-phenyltriazol-4-yl)methanamine
SMILESCCCCc1c(CN)nnn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-2-3-9-13-12(10-14)15-16-17(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10,14H2,1H3
InChIKeyGSYJTQKBSCQXIH-UHFFFAOYSA-N
XLogP2.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
CID 82198141
[1-(3-bromophenyl)-5-butyltriazol-4-yl]methanamine
CID 94937588
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
[5-(3-phenoxypropyl)-1-phenyltriazol-4-yl]methanamine
CID 94939895
[5-butyl-1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 94939043
[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
CID 94938513
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
CID 82200300
[5-butyl-1-(3-chloro-4-methylphenyl)triazol-4-yl]methanamine
CID 82198903
5-[4-(aminomethyl)-5-butyltriazol-1-yl]-2-hydroxybenzoic acid
CID 82199292
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
CID 82198492
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745

Frequently Asked Questions

What is the IUPAC name of (5-butyl-1-phenyltriazol-4-yl)methanamine?
The IUPAC name of (5-butyl-1-phenyltriazol-4-yl)methanamine (CID 82200262) is (5-butyl-1-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-butyl-1-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (5-butyl-1-phenyltriazol-4-yl)methanamine is CCCCc1c(CN)nnn1-c1ccccc1.
What is the InChIKey of (5-butyl-1-phenyltriazol-4-yl)methanamine?
The InChIKey is GSYJTQKBSCQXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-3-9-13-12(10-14)15-16-17(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10,14H2,1H3.
What are the key properties of (5-butyl-1-phenyltriazol-4-yl)methanamine?
(5-butyl-1-phenyltriazol-4-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-1-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 82200262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).