1-(1,2,4-triazol-4-yl)cyclohexan-1-amine

C8H14N4 — CID 66895615

IUPAC1-(1,2,4-triazol-4-yl)cyclohexan-1-amine
SMILESNC1(n2cnnc2)CCCCC1
InChIInChI=1S/C8H14N4/c9-8(4-2-1-3-5-8)12-6-10-11-7-12/h6-7H,1-5,9H2
InChIKeyGAHATJZHQORBOW-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.85
Rot. Bonds1

About 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine

1-(1,2,4-triazol-4-yl)cyclohexan-1-amine (PubChem CID 66895615) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,2,4-triazol-4-yl)cyclohexan-1-amine
PubChem CID66895615
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(1,2,4-triazol-4-yl)cyclohexan-1-amine
SMILESNC1(n2cnnc2)CCCCC1
InChIInChI=1S/C8H14N4/c9-8(4-2-1-3-5-8)12-6-10-11-7-12/h6-7H,1-5,9H2
InChIKeyGAHATJZHQORBOW-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The IUPAC name of 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine (CID 66895615) is 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine is NC1(n2cnnc2)CCCCC1.
What is the InChIKey of 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The InChIKey is GAHATJZHQORBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-8(4-2-1-3-5-8)12-6-10-11-7-12/h6-7H,1-5,9H2.
What are the key properties of 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
1-(1,2,4-triazol-4-yl)cyclohexan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 66895615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).