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

C19H17ClN4O — CID 91889089

IUPAC3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN4O/c20-15-7-3-6-14(11-15)19(25)21-16-8-4-5-13(12-16)18-23-22-17-9-1-2-10-24(17)18/h3-8,11-12H,1-2,9-10H2,(H,21,25)
InChIKeyDLAINGJPTHFFTM-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.19
Rot. Bonds3

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

3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 91889089) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
PubChem CID91889089
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H17ClN4O/c20-15-7-3-6-14(11-15)19(25)21-16-8-4-5-13(12-16)18-23-22-17-9-1-2-10-24(17)18/h3-8,11-12H,1-2,9-10H2,(H,21,25)
InChIKeyDLAINGJPTHFFTM-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 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (CID 91889089) is 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The InChIKey is DLAINGJPTHFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-15-7-3-6-14(11-15)19(25)21-16-8-4-5-13(12-16)18-23-22-17-9-1-2-10-24(17)18/h3-8,11-12H,1-2,9-10H2,(H,21,25).
What are the key properties of 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
3-chloro-N-[3-(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 3-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 91889089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).