1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine

C11H20N4 — CID 62697029

IUPAC1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine
SMILESCc1nc(C2(N)CCC(C)CC2)n(C)n1
InChIInChI=1S/C11H20N4/c1-8-4-6-11(12,7-5-8)10-13-9(2)14-15(10)3/h8H,4-7,12H2,1-3H3
InChIKeyVQFBFJMEPAFCOF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.49
Rot. Bonds1

About 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine

1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine (PubChem CID 62697029) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine
PubChem CID62697029
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine
SMILESCc1nc(C2(N)CCC(C)CC2)n(C)n1
InChIInChI=1S/C11H20N4/c1-8-4-6-11(12,7-5-8)10-13-9(2)14-15(10)3/h8H,4-7,12H2,1-3H3
InChIKeyVQFBFJMEPAFCOF-UHFFFAOYSA-N
XLogP1.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine (CID 62697029) is 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine is Cc1nc(C2(N)CCC(C)CC2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine?
The InChIKey is VQFBFJMEPAFCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-4-6-11(12,7-5-8)10-13-9(2)14-15(10)3/h8H,4-7,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine?
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62697029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).