4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine

C8H14N4 — CID 61361214

IUPAC4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
SMILESNC1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C8H14N4/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h5-7H,1-4,9H2,(H,10,11,12)
InChIKeyOAMZBBRGCCAGJL-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.79
Rot. Bonds1

About 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine

4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine (PubChem CID 61361214) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
PubChem CID61361214
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine
SMILESNC1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C8H14N4/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h5-7H,1-4,9H2,(H,10,11,12)
InChIKeyOAMZBBRGCCAGJL-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine (CID 61361214) is 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine is NC1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
The InChIKey is OAMZBBRGCCAGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h5-7H,1-4,9H2,(H,10,11,12).
What are the key properties of 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine?
4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 61361214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).