3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine

C19H17N5 — CID 57396964

IUPAC3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine
SMILESc1ccc(CCNc2ccc3nnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C19H17N5/c1-3-7-15(8-4-1)13-14-20-18-12-11-17-19(21-18)24(23-22-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,21)
InChIKeyDPDORAORSNMLQK-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.47
Rot. Bonds5

About 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine

3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine (PubChem CID 57396964) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine
PubChem CID57396964
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine
SMILESc1ccc(CCNc2ccc3nnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C19H17N5/c1-3-7-15(8-4-1)13-14-20-18-12-11-17-19(21-18)24(23-22-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,21)
InChIKeyDPDORAORSNMLQK-UHFFFAOYSA-N
XLogP3.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine (CID 57396964) is 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine is c1ccc(CCNc2ccc3nnn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DPDORAORSNMLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-3-7-15(8-4-1)13-14-20-18-12-11-17-19(21-18)24(23-22-17)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,21).
What are the key properties of 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine?
3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine has a molecular weight of 315.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylethyl)triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 57396964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).