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

C17H15N5O — CID 134336158

IUPAC4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(N3CCOCC3)cc3ncnn23)cc1
InChIInChI=1S/C17H15N5O/c18-11-13-1-3-14(4-2-13)16-9-15(21-5-7-23-8-6-21)10-17-19-12-20-22(16)17/h1-4,9-10,12H,5-8H2
InChIKeyIQOGICCIHOGMSF-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.10
Rot. Bonds2

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

4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 134336158) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID134336158
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc(N3CCOCC3)cc3ncnn23)cc1
InChIInChI=1S/C17H15N5O/c18-11-13-1-3-14(4-2-13)16-9-15(21-5-7-23-8-6-21)10-17-19-12-20-22(16)17/h1-4,9-10,12H,5-8H2
InChIKeyIQOGICCIHOGMSF-UHFFFAOYSA-N
XLogP2.10
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (CID 134336158) is 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is N#Cc1ccc(-c2cc(N3CCOCC3)cc3ncnn23)cc1.
What is the InChIKey of 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is IQOGICCIHOGMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-11-13-1-3-14(4-2-13)16-9-15(21-5-7-23-8-6-21)10-17-19-12-20-22(16)17/h1-4,9-10,12H,5-8H2.
What are the key properties of 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 305.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 134336158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).