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

C10H18N4 — CID 79531249

IUPAC1-(3-ethylcyclohexyl)triazol-4-amine
SMILESCCC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C10H18N4/c1-2-8-4-3-5-9(6-8)14-7-10(11)12-13-14/h7-9H,2-6,11H2,1H3
InChIKeyGEVRFZSHOHCQBS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.00
Rot. Bonds2

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

1-(3-ethylcyclohexyl)triazol-4-amine (PubChem CID 79531249) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)triazol-4-amine
PubChem CID79531249
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(3-ethylcyclohexyl)triazol-4-amine
SMILESCCC1CCCC(n2cc(N)nn2)C1
InChIInChI=1S/C10H18N4/c1-2-8-4-3-5-9(6-8)14-7-10(11)12-13-14/h7-9H,2-6,11H2,1H3
InChIKeyGEVRFZSHOHCQBS-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-(3-ethylcyclohexyl)triazol-4-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)triazol-4-amine (CID 79531249) is 1-(3-ethylcyclohexyl)triazol-4-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)triazol-4-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)triazol-4-amine is CCC1CCCC(n2cc(N)nn2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)triazol-4-amine?
The InChIKey is GEVRFZSHOHCQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-8-4-3-5-9(6-8)14-7-10(11)12-13-14/h7-9H,2-6,11H2,1H3.
What are the key properties of 1-(3-ethylcyclohexyl)triazol-4-amine?
1-(3-ethylcyclohexyl)triazol-4-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-(3-ethylcyclohexyl)triazol-4-amine is sourced from PubChem (CID 79531249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).