1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine

C13H18N4 — CID 62709915

IUPAC1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCCC(N)c1nncn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-2-3-9-12(14)13-16-15-10-17(13)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9,14H2,1H3
InChIKeyAEJLXTRFQQFOAK-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.46
Rot. Bonds5

About 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine

1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 62709915) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID62709915
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCCC(N)c1nncn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-2-3-9-12(14)13-16-15-10-17(13)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9,14H2,1H3
InChIKeyAEJLXTRFQQFOAK-UHFFFAOYSA-N
XLogP2.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781
3-heptan-4-yl-4-phenyl-1,2,4-triazole
CID 82995820
3-pentan-3-yl-4-phenyl-1,2,4-triazole
CID 115393369
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
ethyl 3-methyl-2-(4-phenyl-1,2,4-triazol-3-yl)butanoate
CID 79472323
(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine
CID 115289456
2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 119291926
1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
4-phenyl-1,2,4-triazol-3-amine
CID 12949094
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 94552688
3-(2-methylbutyl)-4-phenyl-1,2,4-triazole
CID 114877681

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 62709915) is 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine is CCCCC(N)c1nncn1-c1ccccc1.
What is the InChIKey of 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is AEJLXTRFQQFOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-3-9-12(14)13-16-15-10-17(13)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9,14H2,1H3.
What are the key properties of 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine?
1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 62709915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).