4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide

C19H17ClN4O — CID 91889018

IUPAC4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O/c20-15-8-4-14(5-9-15)19(25)21-16-10-6-13(7-11-16)18-23-22-17-3-1-2-12-24(17)18/h4-11H,1-3,12H2,(H,21,25)
InChIKeyKMMLSLFCMLTSFI-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.19
Rot. Bonds3

About 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide

4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 91889018) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
PubChem CID91889018
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O/c20-15-8-4-14(5-9-15)19(25)21-16-10-6-13(7-11-16)18-23-22-17-3-1-2-12-24(17)18/h4-11H,1-3,12H2,(H,21,25)
InChIKeyKMMLSLFCMLTSFI-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (CID 91889018) is 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The InChIKey is KMMLSLFCMLTSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-15-8-4-14(5-9-15)19(25)21-16-10-6-13(7-11-16)18-23-22-17-3-1-2-12-24(17)18/h4-11H,1-3,12H2,(H,21,25).
What are the key properties of 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 352.83 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 91889018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).