3-cyclopentyl-5-phenyltriazol-4-amine

C13H16N4 — CID 105485947

IUPAC3-cyclopentyl-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1C1CCCC1
InChIInChI=1S/C13H16N4/c14-13-12(10-6-2-1-3-7-10)15-16-17(13)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9,14H2
InChIKeyHIUAFDXVPUZRJM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.64
Rot. Bonds2

About 3-cyclopentyl-5-phenyltriazol-4-amine

3-cyclopentyl-5-phenyltriazol-4-amine (PubChem CID 105485947) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-cyclopentyl-5-phenyltriazol-4-amine.

Molecular Properties

Compound Name3-cyclopentyl-5-phenyltriazol-4-amine
PubChem CID105485947
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-cyclopentyl-5-phenyltriazol-4-amine
SMILESNc1c(-c2ccccc2)nnn1C1CCCC1
InChIInChI=1S/C13H16N4/c14-13-12(10-6-2-1-3-7-10)15-16-17(13)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9,14H2
InChIKeyHIUAFDXVPUZRJM-UHFFFAOYSA-N
XLogP2.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4,5-diphenyltriazole
CID 165349356
1-cyclobutyl-3-phenylpyrazol-5-amine
CID 56604603
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
3-cyclopropyl-2-ethyl-5-phenylimidazol-4-amine
CID 62220629
3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
CID 53275781
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
4-cyclobutyl-3,5-diphenyl-1,2,4-triazole
CID 10612456
1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine
CID 105485933
3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490701
2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine
CID 62221346
1-cyclohexyl-4,6-diphenylpyrazolo[5,4-b]pyridin-3-amine
CID 59311768
(2S,9S)-2,4-diphenyl-1,5,6,7-tetrazatricyclo[7.3.0.03,7]dodeca-3,5-diene
CID 71764316

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-phenyltriazol-4-amine?
The IUPAC name of 3-cyclopentyl-5-phenyltriazol-4-amine (CID 105485947) is 3-cyclopentyl-5-phenyltriazol-4-amine.
What is the SMILES notation for 3-cyclopentyl-5-phenyltriazol-4-amine?
The canonical SMILES for 3-cyclopentyl-5-phenyltriazol-4-amine is Nc1c(-c2ccccc2)nnn1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-phenyltriazol-4-amine?
The InChIKey is HIUAFDXVPUZRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-13-12(10-6-2-1-3-7-10)15-16-17(13)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9,14H2.
What are the key properties of 3-cyclopentyl-5-phenyltriazol-4-amine?
3-cyclopentyl-5-phenyltriazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-phenyltriazol-4-amine is sourced from PubChem (CID 105485947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).