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

C8H14N4O — CID 12760729

IUPAC3-cyclohexyloxy-1H-1,2,4-triazol-5-amine
SMILESNc1nc(OC2CCCCC2)n[nH]1
InChIInChI=1S/C8H14N4O/c9-7-10-8(12-11-7)13-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKeyCISJMBDPEAXZFA-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.10
Rot. Bonds2

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

3-cyclohexyloxy-1H-1,2,4-triazol-5-amine (PubChem CID 12760729) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-1H-1,2,4-triazol-5-amine
PubChem CID12760729
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-cyclohexyloxy-1H-1,2,4-triazol-5-amine
SMILESNc1nc(OC2CCCCC2)n[nH]1
InChIInChI=1S/C8H14N4O/c9-7-10-8(12-11-7)13-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKeyCISJMBDPEAXZFA-UHFFFAOYSA-N
XLogP1.10
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine (CID 12760729) is 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine is Nc1nc(OC2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine?
The InChIKey is CISJMBDPEAXZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-7-10-8(12-11-7)13-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,10,11,12).
What are the key properties of 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine?
3-cyclohexyloxy-1H-1,2,4-triazol-5-amine has a molecular weight of 182.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 12760729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).