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

C12H22N4 — CID 62721956

IUPAC1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCCCc1nc(C2(N)CCCCC2)n(C)n1
InChIInChI=1S/C12H22N4/c1-3-7-10-14-11(16(2)15-10)12(13)8-5-4-6-9-12/h3-9,13H2,1-2H3
InChIKeyDOXSMSQVYNTSPQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.89
Rot. Bonds3

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

1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 62721956) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID62721956
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCCCc1nc(C2(N)CCCCC2)n(C)n1
InChIInChI=1S/C12H22N4/c1-3-7-10-14-11(16(2)15-10)12(13)8-5-4-6-9-12/h3-9,13H2,1-2H3
InChIKeyDOXSMSQVYNTSPQ-UHFFFAOYSA-N
XLogP1.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-5-yl]methyl}-N-methylpropan-2-amine
CID 72866390
(1S)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3,3-dimethylcyclohexan-1-amine
CID 95205618
4-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-4-fluorocyclohexan-1-amine
CID 112562426
4-Fluoro-4-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112562491
4-Fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112562493
3-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclohexan-1-amine
CID 112567525
3-Fluoro-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112567589
3-Fluoro-3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112567591
(4,4-Difluorocyclohexyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744782
1-[1-[(3,3-Difluorocyclohexyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 114225083
N-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 115277868
2-(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
CID 115824411

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 62721956) is 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is CCCc1nc(C2(N)CCCCC2)n(C)n1.
What is the InChIKey of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is DOXSMSQVYNTSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-7-10-14-11(16(2)15-10)12(13)8-5-4-6-9-12/h3-9,13H2,1-2H3.
What are the key properties of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.89, 3 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)cyclohexan-1-amine is sourced from PubChem (CID 62721956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).