1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine

C11H22N4 — CID 62709894

IUPAC1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCCCCC(N)c1nncn1CC(C)C
InChIInChI=1S/C11H22N4/c1-4-5-6-10(12)11-14-13-8-15(11)7-9(2)3/h8-10H,4-7,12H2,1-3H3
InChIKeyCIJPDSKNZSIBGH-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.12
Rot. Bonds6

About 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine

1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine (PubChem CID 62709894) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
PubChem CID62709894
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCCCCC(N)c1nncn1CC(C)C
InChIInChI=1S/C11H22N4/c1-4-5-6-10(12)11-14-13-8-15(11)7-9(2)3/h8-10H,4-7,12H2,1-3H3
InChIKeyCIJPDSKNZSIBGH-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
CID 114920922
1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62709915
(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 94552688
(1R)-2-(1H-imidazol-5-yl)-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104895424
(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910672
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 82849099
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737
5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine
CID 107146750
4-ethyl-3-pentan-2-yl-1,2,4-triazole
CID 115394788
4-ethyl-3-heptan-4-yl-1,2,4-triazole
CID 82995973
3-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 22938731
(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The IUPAC name of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine (CID 62709894) is 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine.
What is the SMILES notation for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The canonical SMILES for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine is CCCCC(N)c1nncn1CC(C)C.
What is the InChIKey of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The InChIKey is CIJPDSKNZSIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-5-6-10(12)11-14-13-8-15(11)7-9(2)3/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine is sourced from PubChem (CID 62709894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).