2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine

C10H18N4 — CID 130660838

IUPAC2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CCCCC1Nc1ncnn1C
InChIInChI=1S/C10H18N4/c1-8-5-3-4-6-9(8)13-10-11-7-12-14(10)2/h7-9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyGMDPZHWPLVTIOP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine

2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 130660838) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine
PubChem CID130660838
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CCCCC1Nc1ncnn1C
InChIInChI=1S/C10H18N4/c1-8-5-3-4-6-9(8)13-10-11-7-12-14(10)2/h7-9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyGMDPZHWPLVTIOP-UHFFFAOYSA-N
XLogP1.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,5S)-3,3-difluoro-N-methyl-5-(1,2,4-triazol-4-ylmethyl)cyclohexan-1-amine
CID 144119520
(1S,2R,4R)-2,4-dimethyl-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]cyclohexan-1-amine
CID 129378731
(1R,3R,4S)-3,4-dimethyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]cyclohexan-1-amine
CID 129436961
2-Methyl-1-[4-(1,2,4-triazol-4-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 112075637
2-Methyl-1-[4-(1,2,4-triazol-4-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 112075638
1-Ethyl-2-[4-(1,2,4-triazol-4-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 112075647
1-Ethyl-2-[4-(1,2,4-triazol-4-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 112075648
5-bromo-N-[1-(4,4-difluorocyclohexyl)ethyl]-2-methyl-1,2,4-triazol-3-amine
CID 167794657
2-ethyl-N-(2-ethylhexyl)hexan-1-amine;1-methyl-1,2,4-triazole
CID 19771426
N,N'-bis(2-ethylhexyl)-1-(1,2,4-triazol-1-yl)methanediamine
CID 21282358
1-(4-Methylcyclohexyl)-1,2,4-triazole
CID 58395197
N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine
CID 58883290

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine (CID 130660838) is 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine is CC1CCCCC1Nc1ncnn1C.
What is the InChIKey of 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is GMDPZHWPLVTIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-5-3-4-6-9(8)13-10-11-7-12-14(10)2/h7-9H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine?
2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylcyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130660838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).