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

C8H14N4 — CID 3613874

IUPACN-cyclohexyl-1,2,4-triazol-4-amine
SMILESc1nncn1NC1CCCCC1
InChIInChI=1S/C8H14N4/c1-2-4-8(5-3-1)11-12-6-9-10-7-12/h6-8,11H,1-5H2
InChIKeyUAZRECDELXCIBS-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.15
Rot. Bonds2

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

N-cyclohexyl-1,2,4-triazol-4-amine (PubChem CID 3613874) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-cyclohexyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1,2,4-triazol-4-amine
PubChem CID3613874
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-cyclohexyl-1,2,4-triazol-4-amine
SMILESc1nncn1NC1CCCCC1
InChIInChI=1S/C8H14N4/c1-2-4-8(5-3-1)11-12-6-9-10-7-12/h6-8,11H,1-5H2
InChIKeyUAZRECDELXCIBS-UHFFFAOYSA-N
XLogP1.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,2,4-triazol-4-amine?
The IUPAC name of N-cyclohexyl-1,2,4-triazol-4-amine (CID 3613874) is N-cyclohexyl-1,2,4-triazol-4-amine.
What is the SMILES notation for N-cyclohexyl-1,2,4-triazol-4-amine?
The canonical SMILES for N-cyclohexyl-1,2,4-triazol-4-amine is c1nncn1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1,2,4-triazol-4-amine?
The InChIKey is UAZRECDELXCIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-4-8(5-3-1)11-12-6-9-10-7-12/h6-8,11H,1-5H2.
What are the key properties of N-cyclohexyl-1,2,4-triazol-4-amine?
N-cyclohexyl-1,2,4-triazol-4-amine has a molecular weight of 166.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 3613874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).