1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine

C10H18N4 — CID 64735325

IUPAC1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CC(C)CC(n2cnc(N)n2)C1
InChIInChI=1S/C10H18N4/c1-7-3-8(2)5-9(4-7)14-6-12-10(11)13-14/h6-9H,3-5H2,1-2H3,(H2,11,13)
InChIKeyCMBMQWXPFNCEOY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.86
Rot. Bonds1

About 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine

1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 64735325) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine
PubChem CID64735325
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CC(C)CC(n2cnc(N)n2)C1
InChIInChI=1S/C10H18N4/c1-7-3-8(2)5-9(4-7)14-6-12-10(11)13-14/h6-9H,3-5H2,1-2H3,(H2,11,13)
InChIKeyCMBMQWXPFNCEOY-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine (CID 64735325) is 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine is CC1CC(C)CC(n2cnc(N)n2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is CMBMQWXPFNCEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7-3-8(2)5-9(4-7)14-6-12-10(11)13-14/h6-9H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 64735325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).