1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine

C11H20N4 — CID 79543288

IUPAC1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine
SMILESCCC1CCCC(n2nnc(N)c2C)C1
InChIInChI=1S/C11H20N4/c1-3-9-5-4-6-10(7-9)15-8(2)11(12)13-14-15/h9-10H,3-7,12H2,1-2H3
InChIKeyBGRTUCKTOJUFTJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.31
Rot. Bonds2

About 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine

1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine (PubChem CID 79543288) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine
PubChem CID79543288
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine
SMILESCCC1CCCC(n2nnc(N)c2C)C1
InChIInChI=1S/C11H20N4/c1-3-9-5-4-6-10(7-9)15-8(2)11(12)13-14-15/h9-10H,3-7,12H2,1-2H3
InChIKeyBGRTUCKTOJUFTJ-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine?
The IUPAC name of 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine (CID 79543288) is 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine is CCC1CCCC(n2nnc(N)c2C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine?
The InChIKey is BGRTUCKTOJUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-9-5-4-6-10(7-9)15-8(2)11(12)13-14-15/h9-10H,3-7,12H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine?
1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine has a molecular weight of 208.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-5-methyltriazol-4-amine is sourced from PubChem (CID 79543288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).