3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide

C13H15N7O2 — CID 102563782

IUPAC3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)C(NC(=O)c1cnc2c(c1)nnn2C)c1ncon1
InChIInChI=1S/C13H15N7O2/c1-7(2)10(11-15-6-22-18-11)16-13(21)8-4-9-12(14-5-8)20(3)19-17-9/h4-7,10H,1-3H3,(H,16,21)
InChIKeyLYWVVTCBOAIKLN-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.87
Rot. Bonds4

About 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 102563782) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID102563782
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)C(NC(=O)c1cnc2c(c1)nnn2C)c1ncon1
InChIInChI=1S/C13H15N7O2/c1-7(2)10(11-15-6-22-18-11)16-13(21)8-4-9-12(14-5-8)20(3)19-17-9/h4-7,10H,1-3H3,(H,16,21)
InChIKeyLYWVVTCBOAIKLN-UHFFFAOYSA-N
XLogP0.87
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide (CID 102563782) is 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide is CC(C)C(NC(=O)c1cnc2c(c1)nnn2C)c1ncon1.
What is the InChIKey of 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is LYWVVTCBOAIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2/c1-7(2)10(11-15-6-22-18-11)16-13(21)8-4-9-12(14-5-8)20(3)19-17-9/h4-7,10H,1-3H3,(H,16,21).
What are the key properties of 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 102563782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).