N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide

C16H16N6O — CID 56744568

IUPACN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1cnc2n1CCCC2)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C16H16N6O/c23-16(20-15-9-17-14-3-1-2-8-22(14)15)12-4-6-13(7-5-12)21-10-18-19-11-21/h4-7,9-11H,1-3,8H2,(H,20,23)
InChIKeyMWTOPGDUXJCFNA-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.05
Rot. Bonds3

About N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide

N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 56744568) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID56744568
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1cnc2n1CCCC2)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C16H16N6O/c23-16(20-15-9-17-14-3-1-2-8-22(14)15)12-4-6-13(7-5-12)21-10-18-19-11-21/h4-7,9-11H,1-3,8H2,(H,20,23)
InChIKeyMWTOPGDUXJCFNA-UHFFFAOYSA-N
XLogP2.05
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide (CID 56744568) is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1cnc2n1CCCC2)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is MWTOPGDUXJCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(20-15-9-17-14-3-1-2-8-22(14)15)12-4-6-13(7-5-12)21-10-18-19-11-21/h4-7,9-11H,1-3,8H2,(H,20,23).
What are the key properties of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide?
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 308.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 56744568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).