propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C11H13N3O2 — CID 119099134

IUPACpropan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCc1nnc2c(C(=O)OC(C)C)cccn12
InChIInChI=1S/C11H13N3O2/c1-7(2)16-11(15)9-5-4-6-14-8(3)12-13-10(9)14/h4-7H,1-3H3
InChIKeyXYLXMXQGLJSUNK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds2

About propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 119099134) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
PubChem CID119099134
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namepropan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCc1nnc2c(C(=O)OC(C)C)cccn12
InChIInChI=1S/C11H13N3O2/c1-7(2)16-11(15)9-5-4-6-14-8(3)12-13-10(9)14/h4-7H,1-3H3
InChIKeyXYLXMXQGLJSUNK-UHFFFAOYSA-N
XLogP1.60
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 84614417
8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 119020976
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
methyl 3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147397
2-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone
CID 83836581
2-amino-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanol
CID 83830075
methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147559
propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
dipropan-2-yl perylene-3,9-dicarboxylate
CID 86028819
2-chloro-2-fluoro-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide;2,2,2-trifluoroacetic acid
CID 166430964

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The IUPAC name of propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 119099134) is propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.
What is the SMILES notation for propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The canonical SMILES for propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is Cc1nnc2c(C(=O)OC(C)C)cccn12.
What is the InChIKey of propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The InChIKey is XYLXMXQGLJSUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)16-11(15)9-5-4-6-14-8(3)12-13-10(9)14/h4-7H,1-3H3.
What are the key properties of propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 119099134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).