2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile

C20H15N5O — CID 110455232

IUPAC2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nc2cccc(OCc3ccccc3)n2n1
InChIInChI=1S/C20H15N5O/c21-13-16-9-4-5-10-17(16)22-20-23-18-11-6-12-19(25(18)24-20)26-14-15-7-2-1-3-8-15/h1-12H,14H2,(H,22,24)
InChIKeyBOVWMIQZAPDCMW-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.92
Rot. Bonds5

About 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile

2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile (PubChem CID 110455232) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
PubChem CID110455232
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1nc2cccc(OCc3ccccc3)n2n1
InChIInChI=1S/C20H15N5O/c21-13-16-9-4-5-10-17(16)22-20-23-18-11-6-12-19(25(18)24-20)26-14-15-7-2-1-3-8-15/h1-12H,14H2,(H,22,24)
InChIKeyBOVWMIQZAPDCMW-UHFFFAOYSA-N
XLogP3.92
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile?
The IUPAC name of 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile (CID 110455232) is 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile?
The canonical SMILES for 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile is N#Cc1ccccc1Nc1nc2cccc(OCc3ccccc3)n2n1.
What is the InChIKey of 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile?
The InChIKey is BOVWMIQZAPDCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c21-13-16-9-4-5-10-17(16)22-20-23-18-11-6-12-19(25(18)24-20)26-14-15-7-2-1-3-8-15/h1-12H,14H2,(H,22,24).
What are the key properties of 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile?
2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzonitrile is sourced from PubChem (CID 110455232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).