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

C10H18N4 — CID 62693680

IUPAC4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2nncn2C)CC1
InChIInChI=1S/C10H18N4/c1-8-3-5-10(11,6-4-8)9-13-12-7-14(9)2/h7-8H,3-6,11H2,1-2H3
InChIKeyLJDCVTTZXPTEAU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.18
Rot. Bonds1

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

4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 62693680) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID62693680
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2nncn2C)CC1
InChIInChI=1S/C10H18N4/c1-8-3-5-10(11,6-4-8)9-13-12-7-14(9)2/h7-8H,3-6,11H2,1-2H3
InChIKeyLJDCVTTZXPTEAU-UHFFFAOYSA-N
XLogP1.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1r,4r)-4-(4-methyl-4H-1,2,4-triazol-3-yl)cyclohexan-1-amine dihydrochloride
CID 155822918
N-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-5-yl]methyl}-N-methylpropan-2-amine
CID 72866390
4-(4-methyl-4H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 62693871
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754252
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754268
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759093
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759209
1-[(2-Methyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65601618
4-Tert-butyl-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934696
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844674
1-[2-(3-Ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 112076057
1-[2-(3-Ethyl-1,2,4-triazol-4-yl)ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 112076058

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 62693680) is 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is CC1CCC(N)(c2nncn2C)CC1.
What is the InChIKey of 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is LJDCVTTZXPTEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-3-5-10(11,6-4-8)9-13-12-7-14(9)2/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 62693680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).