1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C13H24N4 — CID 104999458

IUPAC1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)n1ncnc1CC(N)C1(C)CCCC1
InChIInChI=1S/C13H24N4/c1-10(2)17-12(15-9-16-17)8-11(14)13(3)6-4-5-7-13/h9-11H,4-8,14H2,1-3H3
InChIKeyQRFSOOUSRJRICK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds4

About 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104999458) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104999458
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)n1ncnc1CC(N)C1(C)CCCC1
InChIInChI=1S/C13H24N4/c1-10(2)17-12(15-9-16-17)8-11(14)13(3)6-4-5-7-13/h9-11H,4-8,14H2,1-3H3
InChIKeyQRFSOOUSRJRICK-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 116766229
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
5-[[1-(bromomethyl)cyclopentyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66049123
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317373
1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997606
1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999574
5-[[1-(chloromethyl)cyclobutyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66036230
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999743
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
CID 81010403
1-(4-tert-butylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999770

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104999458) is 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CC(C)n1ncnc1CC(N)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is QRFSOOUSRJRICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)17-12(15-9-16-17)8-11(14)13(3)6-4-5-7-13/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104999458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).