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

C9H16N4 — CID 64749671

IUPAC1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CCC(n2cnc(N)n2)CC1
InChIInChI=1S/C9H16N4/c1-7-2-4-8(5-3-7)13-6-11-9(10)12-13/h6-8H,2-5H2,1H3,(H2,10,12)
InChIKeyPAPDDRQHSMMWLB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds1

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

1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 64749671) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine
PubChem CID64749671
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CCC(n2cnc(N)n2)CC1
InChIInChI=1S/C9H16N4/c1-7-2-4-8(5-3-7)13-6-11-9(10)12-13/h6-8H,2-5H2,1H3,(H2,10,12)
InChIKeyPAPDDRQHSMMWLB-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine (CID 64749671) is 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine is CC1CCC(n2cnc(N)n2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is PAPDDRQHSMMWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-2-4-8(5-3-7)13-6-11-9(10)12-13/h6-8H,2-5H2,1H3,(H2,10,12).
What are the key properties of 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine?
1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 64749671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).