4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

C19H16N4O2 — CID 159107801

IUPAC4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(C(=O)CCC3COC3)cc3ncnn23)cc1
InChIInChI=1S/C19H16N4O2/c20-9-13-1-4-15(5-2-13)17-7-16(8-19-21-12-22-23(17)19)18(24)6-3-14-10-25-11-14/h1-2,4-5,7-8,12,14H,3,6,10-11H2
InChIKeyKECMJZAVHDDGHP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.88
Rot. Bonds5

About 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 159107801) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID159107801
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(C(=O)CCC3COC3)cc3ncnn23)cc1
InChIInChI=1S/C19H16N4O2/c20-9-13-1-4-15(5-2-13)17-7-16(8-19-21-12-22-23(17)19)18(24)6-3-14-10-25-11-14/h1-2,4-5,7-8,12,14H,3,6,10-11H2
InChIKeyKECMJZAVHDDGHP-UHFFFAOYSA-N
XLogP2.88
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile with MolForge

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Related Compounds

5-(4-cyanophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 122540294
4-[7-(oxolan-3-ylmethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540396
4-(7-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
CID 134336158
N-[5-(4-cyanophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
CID 122540630
4-[7-[(oxolan-3-ylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
CID 122540466
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]oxane-3-carboxamide
CID 122540762
oxolan-3-yl N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamate
CID 122540679
N-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-2-(dimethylamino)acetamide
CID 122540403
1-[5-(4-cyano-3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-3-phenylurea
CID 122540282
4-[5-(3,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile
CID 134328374
4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432
4-(4-cyanobutanoyl)benzonitrile
CID 24723827

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 159107801) is 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is N#Cc1ccc(-c2cc(C(=O)CCC3COC3)cc3ncnn23)cc1.
What is the InChIKey of 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is KECMJZAVHDDGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-9-13-1-4-15(5-2-13)17-7-16(8-19-21-12-22-23(17)19)18(24)6-3-14-10-25-11-14/h1-2,4-5,7-8,12,14H,3,6,10-11H2.
What are the key properties of 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 332.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(oxetan-3-yl)propanoyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 159107801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).