1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

C13H24N4 — CID 62722708

IUPAC1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc(C2CCCC2)nn1C
InChIInChI=1S/C13H24N4/c1-9(2)8-11(14)13-15-12(16-17(13)3)10-6-4-5-7-10/h9-11H,4-8,14H2,1-3H3
InChIKeyYURHWLNMRSTMOM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.52
Rot. Bonds4

About 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine (PubChem CID 62722708) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
PubChem CID62722708
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc(C2CCCC2)nn1C
InChIInChI=1S/C13H24N4/c1-9(2)8-11(14)13-15-12(16-17(13)3)10-6-4-5-7-10/h9-11H,4-8,14H2,1-3H3
InChIKeyYURHWLNMRSTMOM-UHFFFAOYSA-N
XLogP2.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62720541
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62720886
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62722907
(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 94554729
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 24707659
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 62943913
2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 62722170
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815858
1-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)ethanamine
CID 83866094
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine (CID 62722708) is 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine is CC(C)CC(N)c1nc(C2CCCC2)nn1C.
What is the InChIKey of 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The InChIKey is YURHWLNMRSTMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)8-11(14)13-15-12(16-17(13)3)10-6-4-5-7-10/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 62722708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).