1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine

C12H22N4 — CID 65242842

IUPAC1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCc1n[nH]c(CC2(NC)CCCCC2)n1
InChIInChI=1S/C12H22N4/c1-3-10-14-11(16-15-10)9-12(13-2)7-5-4-6-8-12/h13H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyCAIIFFMVYKFXHI-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.83
Rot. Bonds4

About 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine

1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 65242842) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID65242842
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCc1n[nH]c(CC2(NC)CCCCC2)n1
InChIInChI=1S/C12H22N4/c1-3-10-14-11(16-15-10)9-12(13-2)7-5-4-6-8-12/h13H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyCAIIFFMVYKFXHI-UHFFFAOYSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine (CID 65242842) is 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine is CCc1n[nH]c(CC2(NC)CCCCC2)n1.
What is the InChIKey of 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is CAIIFFMVYKFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-10-14-11(16-15-10)9-12(13-2)7-5-4-6-8-12/h13H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine?
1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65242842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).