1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine

C10H18N4 — CID 63861960

IUPAC1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCCC1CCCCC1n1cnc(N)n1
InChIInChI=1S/C10H18N4/c1-2-8-5-3-4-6-9(8)14-7-12-10(11)13-14/h7-9H,2-6H2,1H3,(H2,11,13)
InChIKeyVAQCITIQRQHMGV-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine

1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 63861960) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine
PubChem CID63861960
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCCC1CCCCC1n1cnc(N)n1
InChIInChI=1S/C10H18N4/c1-2-8-5-3-4-6-9(8)14-7-12-10(11)13-14/h7-9H,2-6H2,1H3,(H2,11,13)
InChIKeyVAQCITIQRQHMGV-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine (CID 63861960) is 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine is CCC1CCCCC1n1cnc(N)n1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is VAQCITIQRQHMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-8-5-3-4-6-9(8)14-7-12-10(11)13-14/h7-9H,2-6H2,1H3,(H2,11,13).
What are the key properties of 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine?
1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 63861960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).