3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C15H18N6O3 — CID 156583876

IUPAC3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nonc1CNC(=O)c1ccc2nnc(C(O)C(C)C)n2c1
InChIInChI=1S/C15H18N6O3/c1-8(2)13(22)14-18-17-12-5-4-10(7-21(12)14)15(23)16-6-11-9(3)19-24-20-11/h4-5,7-8,13,22H,6H2,1-3H3,(H,16,23)
InChIKeyRBTYUOOLUZYCOW-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.04
Rot. Bonds5

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

3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 156583876) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID156583876
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nonc1CNC(=O)c1ccc2nnc(C(O)C(C)C)n2c1
InChIInChI=1S/C15H18N6O3/c1-8(2)13(22)14-18-17-12-5-4-10(7-21(12)14)15(23)16-6-11-9(3)19-24-20-11/h4-5,7-8,13,22H,6H2,1-3H3,(H,16,23)
InChIKeyRBTYUOOLUZYCOW-UHFFFAOYSA-N
XLogP1.04
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 156583876) is 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nonc1CNC(=O)c1ccc2nnc(C(O)C(C)C)n2c1.
What is the InChIKey of 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is RBTYUOOLUZYCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-8(2)13(22)14-18-17-12-5-4-10(7-21(12)14)15(23)16-6-11-9(3)19-24-20-11/h4-5,7-8,13,22H,6H2,1-3H3,(H,16,23).
What are the key properties of 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 156583876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).