4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

C20H14FN5 — CID 122540316

IUPAC4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(NCc3ccc(F)cc3)cc3ncnn23)cc1
InChIInChI=1S/C20H14FN5/c21-17-7-3-15(4-8-17)12-23-18-9-19(26-20(10-18)24-13-25-26)16-5-1-14(11-22)2-6-16/h1-10,13,23H,12H2
InChIKeyDDBNRFRBPGDKLB-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.02
Rot. Bonds4

About 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 122540316) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID122540316
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(NCc3ccc(F)cc3)cc3ncnn23)cc1
InChIInChI=1S/C20H14FN5/c21-17-7-3-15(4-8-17)12-23-18-9-19(26-20(10-18)24-13-25-26)16-5-1-14(11-22)2-6-16/h1-10,13,23H,12H2
InChIKeyDDBNRFRBPGDKLB-UHFFFAOYSA-N
XLogP4.02
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 122540316) is 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is N#Cc1ccc(-c2cc(NCc3ccc(F)cc3)cc3ncnn23)cc1.
What is the InChIKey of 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is DDBNRFRBPGDKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5/c21-17-7-3-15(4-8-17)12-23-18-9-19(26-20(10-18)24-13-25-26)16-5-1-14(11-22)2-6-16/h1-10,13,23H,12H2.
What are the key properties of 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 343.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(4-fluorophenyl)methylamino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 122540316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).