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

C8H14N4 — CID 3162005

IUPAC5-cyclohexyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C8H14N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKeyMHKYLXXPZPFWRK-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.43
Rot. Bonds1

About 5-cyclohexyl-1H-1,2,4-triazol-3-amine

5-cyclohexyl-1H-1,2,4-triazol-3-amine (PubChem CID 3162005) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5-cyclohexyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-cyclohexyl-1H-1,2,4-triazol-3-amine
PubChem CID3162005
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5-cyclohexyl-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C8H14N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKeyMHKYLXXPZPFWRK-UHFFFAOYSA-N
XLogP1.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-cyclohexyl-1H-1,2,4-triazol-3-amine (CID 3162005) is 5-cyclohexyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-cyclohexyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-cyclohexyl-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-1H-1,2,4-triazol-3-amine?
The InChIKey is MHKYLXXPZPFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,10,11,12).
What are the key properties of 5-cyclohexyl-1H-1,2,4-triazol-3-amine?
5-cyclohexyl-1H-1,2,4-triazol-3-amine has a molecular weight of 166.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 3162005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).