3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine

C13H24N4 — CID 114222440

IUPAC3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine
SMILESCCC1CCC(CNc2cnnn2CC)CC1
InChIInChI=1S/C13H24N4/c1-3-11-5-7-12(8-6-11)9-14-13-10-15-16-17(13)4-2/h10-12,14H,3-9H2,1-2H3
InChIKeyYOGPYGNYZUJBHJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.93
Rot. Bonds5

About 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine

3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine (PubChem CID 114222440) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine
PubChem CID114222440
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine
SMILESCCC1CCC(CNc2cnnn2CC)CC1
InChIInChI=1S/C13H24N4/c1-3-11-5-7-12(8-6-11)9-14-13-10-15-16-17(13)4-2/h10-12,14H,3-9H2,1-2H3
InChIKeyYOGPYGNYZUJBHJ-UHFFFAOYSA-N
XLogP2.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine?
The IUPAC name of 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine (CID 114222440) is 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine?
The canonical SMILES for 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine is CCC1CCC(CNc2cnnn2CC)CC1.
What is the InChIKey of 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine?
The InChIKey is YOGPYGNYZUJBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-11-5-7-12(8-6-11)9-14-13-10-15-16-17(13)4-2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine?
3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine is sourced from PubChem (CID 114222440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).