1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine

C11H22N4 — CID 62722130

IUPAC1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCCC(N)c1nc(CCC)nn1C
InChIInChI=1S/C11H22N4/c1-4-6-8-9(12)11-13-10(7-5-2)14-15(11)3/h9H,4-8,12H2,1-3H3
InChIKeyVQFZYGVJIBPUMC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.96
Rot. Bonds6

About 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine

1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine (PubChem CID 62722130) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine
PubChem CID62722130
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine
SMILESCCCCC(N)c1nc(CCC)nn1C
InChIInChI=1S/C11H22N4/c1-4-6-8-9(12)11-13-10(7-5-2)14-15(11)3/h9H,4-8,12H2,1-3H3
InChIKeyVQFZYGVJIBPUMC-UHFFFAOYSA-N
XLogP1.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 62722127
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62720541
ethyl 2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butanoate
CID 79471568
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
N-ethyl-2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62851385
6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
CID 65285160
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine
CID 107146750
1-(1,5-dimethylpyrazol-3-yl)butan-1-amine
CID 82413587
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
(1S)-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 96644379
2-butyl-5-propyl-1,2,4-triazol-3-amine
CID 62677531

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine?
The IUPAC name of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine (CID 62722130) is 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine.
What is the SMILES notation for 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine?
The canonical SMILES for 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine is CCCCC(N)c1nc(CCC)nn1C.
What is the InChIKey of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine?
The InChIKey is VQFZYGVJIBPUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-6-8-9(12)11-13-10(7-5-2)14-15(11)3/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine?
1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine is sourced from PubChem (CID 62722130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).