[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine

C11H20N4 — CID 81010248

IUPAC[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCn1ncnc1CC1CCCCC1CN
InChIInChI=1S/C11H20N4/c1-15-11(13-8-14-15)6-9-4-2-3-5-10(9)7-12/h8-10H,2-7,12H2,1H3
InChIKeyGDGCXONNIMXFON-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.12
Rot. Bonds3

About [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine

[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 81010248) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
PubChem CID81010248
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
SMILESCn1ncnc1CC1CCCCC1CN
InChIInChI=1S/C11H20N4/c1-15-11(13-8-14-15)6-9-4-2-3-5-10(9)7-12/h8-10H,2-7,12H2,1H3
InChIKeyGDGCXONNIMXFON-UHFFFAOYSA-N
XLogP1.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
rac-(1r,4r)-4-(4-methyl-4H-1,2,4-triazol-3-yl)cyclohexan-1-amine dihydrochloride
CID 155822918
3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62693866
3-Decan-3-yl-1-(2-fluoroethyl)-1,2,4-triazole
CID 69050322
4-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 146389227
5-cyclohexyl-1-methyl-1H-1,2,4-triazole
CID 15496060
4-(4-methyl-4H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 62693871
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 80680745
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 80681690
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80683141
4-Fluoro-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]azepane
CID 103983781
N,4-diethyl-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-amine
CID 104622071

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine (CID 81010248) is [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is Cn1ncnc1CC1CCCCC1CN.
What is the InChIKey of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is GDGCXONNIMXFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15-11(13-8-14-15)6-9-4-2-3-5-10(9)7-12/h8-10H,2-7,12H2,1H3.
What are the key properties of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine?
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81010248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).