1-cyclohexyl-1,2,4-triazol-3-amine

C8H14N4 — CID 60911959

IUPAC1-cyclohexyl-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CCCCC2)n1
InChIInChI=1S/C8H14N4/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,9,11)
InChIKeyHADFJARZQWSNHR-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.37
Rot. Bonds1

About 1-cyclohexyl-1,2,4-triazol-3-amine

1-cyclohexyl-1,2,4-triazol-3-amine (PubChem CID 60911959) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-cyclohexyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-1,2,4-triazol-3-amine
PubChem CID60911959
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-cyclohexyl-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CCCCC2)n1
InChIInChI=1S/C8H14N4/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,9,11)
InChIKeyHADFJARZQWSNHR-UHFFFAOYSA-N
XLogP1.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-cyclohexyl-1,2,4-triazol-3-amine (CID 60911959) is 1-cyclohexyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-cyclohexyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-cyclohexyl-1,2,4-triazol-3-amine is Nc1ncn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-1,2,4-triazol-3-amine?
The InChIKey is HADFJARZQWSNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,9,11).
What are the key properties of 1-cyclohexyl-1,2,4-triazol-3-amine?
1-cyclohexyl-1,2,4-triazol-3-amine has a molecular weight of 166.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 60911959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).