2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one

C11H13N3O — CID 112713257

IUPAC2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one
SMILESCc1nc2ccc(C(=O)C(C)C)cn2n1
InChIInChI=1S/C11H13N3O/c1-7(2)11(15)9-4-5-10-12-8(3)13-14(10)6-9/h4-7H,1-3H3
InChIKeyLOUGKIHFIFKABR-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.88
Rot. Bonds2

About 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one

2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one (PubChem CID 112713257) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one
PubChem CID112713257
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one
SMILESCc1nc2ccc(C(=O)C(C)C)cn2n1
InChIInChI=1S/C11H13N3O/c1-7(2)11(15)9-4-5-10-12-8(3)13-14(10)6-9/h4-7H,1-3H3
InChIKeyLOUGKIHFIFKABR-UHFFFAOYSA-N
XLogP1.88
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one (CID 112713257) is 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one is Cc1nc2ccc(C(=O)C(C)C)cn2n1.
What is the InChIKey of 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one?
The InChIKey is LOUGKIHFIFKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)11(15)9-4-5-10-12-8(3)13-14(10)6-9/h4-7H,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one?
2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one has a molecular weight of 203.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-1-one is sourced from PubChem (CID 112713257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).