5-cyclohexyl-3-propan-2-yltriazol-4-amine

C11H20N4 — CID 105462405

IUPAC5-cyclohexyl-3-propan-2-yltriazol-4-amine
SMILESCC(C)n1nnc(C2CCCCC2)c1N
InChIInChI=1S/C11H20N4/c1-8(2)15-11(12)10(13-14-15)9-6-4-3-5-7-9/h8-9H,3-7,12H2,1-2H3
InChIKeyQCPVGEWZACBWIZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.49
Rot. Bonds2

About 5-cyclohexyl-3-propan-2-yltriazol-4-amine

5-cyclohexyl-3-propan-2-yltriazol-4-amine (PubChem CID 105462405) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-cyclohexyl-3-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name5-cyclohexyl-3-propan-2-yltriazol-4-amine
PubChem CID105462405
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-cyclohexyl-3-propan-2-yltriazol-4-amine
SMILESCC(C)n1nnc(C2CCCCC2)c1N
InChIInChI=1S/C11H20N4/c1-8(2)15-11(12)10(13-14-15)9-6-4-3-5-7-9/h8-9H,3-7,12H2,1-2H3
InChIKeyQCPVGEWZACBWIZ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-3-propan-2-yltriazol-4-amine
CID 105448577
5-cyclopropyl-3-propan-2-yltriazole-4-carbaldehyde
CID 105438174
(5-cycloheptyl-3-methyltriazol-4-yl)methanamine
CID 105462408
(5-cyclohexyl-3-methyltriazol-4-yl)methanamine
CID 105448581
5-cyclooctyl-3-(2-methylpropyl)imidazol-4-amine
CID 114207922
5-cyclohexyl-2-cyclopentyl-3-(2-methylpropyl)imidazol-4-amine
CID 63467846
5-cyclooctyl-2,4-dimethylpyrazol-3-amine
CID 65018283
5-cycloheptyl-3-methyltriazole-4-carbaldehyde
CID 105460836
5-cyclohexyl-1-methyltriazol-4-amine
CID 105439082
5-cyclopentyl-2,4-dimethylpyrazol-3-amine
CID 43158729
2-(5-amino-4-cyclobutyltriazol-1-yl)phenol
CID 105488080
3-tert-butyl-5-cyclohexyl-2-methylimidazol-4-amine
CID 62226356

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-propan-2-yltriazol-4-amine?
The IUPAC name of 5-cyclohexyl-3-propan-2-yltriazol-4-amine (CID 105462405) is 5-cyclohexyl-3-propan-2-yltriazol-4-amine.
What is the SMILES notation for 5-cyclohexyl-3-propan-2-yltriazol-4-amine?
The canonical SMILES for 5-cyclohexyl-3-propan-2-yltriazol-4-amine is CC(C)n1nnc(C2CCCCC2)c1N.
What is the InChIKey of 5-cyclohexyl-3-propan-2-yltriazol-4-amine?
The InChIKey is QCPVGEWZACBWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)15-11(12)10(13-14-15)9-6-4-3-5-7-9/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 5-cyclohexyl-3-propan-2-yltriazol-4-amine?
5-cyclohexyl-3-propan-2-yltriazol-4-amine has a molecular weight of 208.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-propan-2-yltriazol-4-amine is sourced from PubChem (CID 105462405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).