[(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C17H18N4O2 — CID 97014408

IUPAC[(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCC(C)C[C@@H](OC(=O)c1ccc2nncn2c1)c1ccccn1
InChIInChI=1S/C17H18N4O2/c1-12(2)9-15(14-5-3-4-8-18-14)23-17(22)13-6-7-16-20-19-11-21(16)10-13/h3-8,10-12,15H,9H2,1-2H3/t15-/m1/s1
InChIKeyJWAUWZHECMGSDH-OAHLLOKOSA-N
MW310.36 g/mol
LogP3.07
Rot. Bonds5

About [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

[(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 97014408) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name[(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID97014408
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCC(C)C[C@@H](OC(=O)c1ccc2nncn2c1)c1ccccn1
InChIInChI=1S/C17H18N4O2/c1-12(2)9-15(14-5-3-4-8-18-14)23-17(22)13-6-7-16-20-19-11-21(16)10-13/h3-8,10-12,15H,9H2,1-2H3/t15-/m1/s1
InChIKeyJWAUWZHECMGSDH-OAHLLOKOSA-N
XLogP3.07
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate with MolForge

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Related Compounds

[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
CID 95908447
N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167956957
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 56822521
2-(2-methylpropylsulfanyl)-2-pyridin-2-ylacetamide
CID 21151398
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95905642
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
CID 51093102
(6-benzoyloxy-2,8-dimethylnonan-4-yl) benzoate
CID 66727849
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(1-pyridin-2-ylethyl)pentanamide
CID 112758996
ethyl 5-methyl-4-(1-pyridin-2-ylethyl)-1,2,4-triazole-3-carboxylate
CID 83232459
1-pyridin-2-ylethyl propanoate
CID 141268318
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 97014408) is [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is CC(C)C[C@@H](OC(=O)c1ccc2nncn2c1)c1ccccn1.
What is the InChIKey of [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is JWAUWZHECMGSDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(2)9-15(14-5-3-4-8-18-14)23-17(22)13-6-7-16-20-19-11-21(16)10-13/h3-8,10-12,15H,9H2,1-2H3/t15-/m1/s1.
What are the key properties of [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
[(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-methyl-1-pyridin-2-ylbutyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 97014408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).