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

C8H14N4 — CID 94388428

IUPACtrans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1n1cnnc1
InChIInChI=1S/C8H14N4/c9-7-3-1-2-4-8(7)12-5-10-11-6-12/h5-8H,1-4,9H2/t7-,8-/m1/s1
InChIKeySVUXRVKBVRWOAX-HTQZYQBOSA-N
MW166.23 g/mol
LogP0.72
Rot. Bonds1

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

trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine (PubChem CID 94388428) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine
PubChem CID94388428
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Nametrans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1n1cnnc1
InChIInChI=1S/C8H14N4/c9-7-3-1-2-4-8(7)12-5-10-11-6-12/h5-8H,1-4,9H2/t7-,8-/m1/s1
InChIKeySVUXRVKBVRWOAX-HTQZYQBOSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine (CID 94388428) is trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1n1cnnc1.
What is the InChIKey of trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
The InChIKey is SVUXRVKBVRWOAX-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14N4/c9-7-3-1-2-4-8(7)12-5-10-11-6-12/h5-8H,1-4,9H2/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine?
trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 94388428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).