5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine

C18H16N6 — CID 10543429

IUPAC5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(c1ccccc1)n1nnc2c(N)nc(-c3ccccc3)nc21
InChIInChI=1S/C18H16N6/c1-12(13-8-4-2-5-9-13)24-18-15(22-23-24)16(19)20-17(21-18)14-10-6-3-7-11-14/h2-12H,1H3,(H2,19,20,21)
InChIKeyJOGWNOXOFDTZEH-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.08
Rot. Bonds3

About 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine

5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 10543429) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID10543429
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(c1ccccc1)n1nnc2c(N)nc(-c3ccccc3)nc21
InChIInChI=1S/C18H16N6/c1-12(13-8-4-2-5-9-13)24-18-15(22-23-24)16(19)20-17(21-18)14-10-6-3-7-11-14/h2-12H,1H3,(H2,19,20,21)
InChIKeyJOGWNOXOFDTZEH-UHFFFAOYSA-N
XLogP3.08
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-2-phenylpurin-6-amine
CID 121009217
2-(3,4-dichlorophenyl)-5,6-dimethyl-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 10764094
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
(2R,3S)-3-(7-chloro-5-phenyltriazolo[4,5-d]pyrimidin-3-yl)pentan-2-ol
CID 11472597
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]pyrimidin-2-amine
CID 155562757
1-(7-chloro-5-phenyltriazolo[4,5-d]pyrimidin-3-yl)propan-2-ol
CID 11254778
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66300126
2-(2-chlorophenyl)-5,6-dimethyl-7-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 10619584
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
5-(3-methylphenyl)-1-(1-phenylethyl)triazole-4-carbonitrile
CID 82206213

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 10543429) is 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine is CC(c1ccccc1)n1nnc2c(N)nc(-c3ccccc3)nc21.
What is the InChIKey of 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is JOGWNOXOFDTZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-12(13-8-4-2-5-9-13)24-18-15(22-23-24)16(19)20-17(21-18)14-10-6-3-7-11-14/h2-12H,1H3,(H2,19,20,21).
What are the key properties of 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine?
5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 316.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 10543429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).