3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

C16H20N6O — CID 126767399

IUPAC3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
SMILESCC(C)c1nnc2ccc(NC(=O)CCc3cncn3C)cn12
InChIInChI=1S/C16H20N6O/c1-11(2)16-20-19-14-6-4-12(9-22(14)16)18-15(23)7-5-13-8-17-10-21(13)3/h4,6,8-11H,5,7H2,1-3H3,(H,18,23)
InChIKeyOQMZVTKNXFLMJP-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.16
Rot. Bonds5

About 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide

3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide (PubChem CID 126767399) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
PubChem CID126767399
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
SMILESCC(C)c1nnc2ccc(NC(=O)CCc3cncn3C)cn12
InChIInChI=1S/C16H20N6O/c1-11(2)16-20-19-14-6-4-12(9-22(14)16)18-15(23)7-5-13-8-17-10-21(13)3/h4,6,8-11H,5,7H2,1-3H3,(H,18,23)
InChIKeyOQMZVTKNXFLMJP-UHFFFAOYSA-N
XLogP2.16
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-tert-butyl-1,3-oxazol-2-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 126767158
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(tetrazol-1-yl)acetamide
CID 126779440
N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide
CID 154756186
2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid
CID 122090958
1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 50846563
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxane-3-carboxamide
CID 154741097
3-amino-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-1-carboxamide
CID 128757010
5-oxo-1-propan-2-yl-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-3-carboxamide
CID 126786172
1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126785198
2-amino-2-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanol
CID 83889517
(3S)-4-(2,2-difluoroethyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)morpholine-3-carboxamide
CID 99827106
(2S)-2-amino-4-[3-(3-methylimidazol-4-yl)propanoylamino]butanoic acid
CID 70945512

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The IUPAC name of 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide (CID 126767399) is 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide is CC(C)c1nnc2ccc(NC(=O)CCc3cncn3C)cn12.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
The InChIKey is OQMZVTKNXFLMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11(2)16-20-19-14-6-4-12(9-22(14)16)18-15(23)7-5-13-8-17-10-21(13)3/h4,6,8-11H,5,7H2,1-3H3,(H,18,23).
What are the key properties of 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide?
3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide has a molecular weight of 312.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide is sourced from PubChem (CID 126767399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).