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

C11H13N3O — CID 116989620

IUPAC4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one
SMILESCC(=O)CCc1nc2ccc(C)cn2n1
InChIInChI=1S/C11H13N3O/c1-8-3-6-11-12-10(5-4-9(2)15)13-14(11)7-8/h3,6-7H,4-5H2,1-2H3
InChIKeyDCGUSALCCSXDDN-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.56
Rot. Bonds3

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

4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one (PubChem CID 116989620) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one
PubChem CID116989620
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one
SMILESCC(=O)CCc1nc2ccc(C)cn2n1
InChIInChI=1S/C11H13N3O/c1-8-3-6-11-12-10(5-4-9(2)15)13-14(11)7-8/h3,6-7H,4-5H2,1-2H3
InChIKeyDCGUSALCCSXDDN-UHFFFAOYSA-N
XLogP1.56
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83866305
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-1-ol
CID 117128702
2-(2-chloroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 116989594
2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 166831895
N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]propan-2-amine
CID 116989583
ethyl 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
2-(methylamino)-N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 110470482
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989598
2-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 83816027
2-bromo-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 71711015
4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127908
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one?
The IUPAC name of 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one (CID 116989620) is 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one.
What is the SMILES notation for 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one?
The canonical SMILES for 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one is CC(=O)CCc1nc2ccc(C)cn2n1.
What is the InChIKey of 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one?
The InChIKey is DCGUSALCCSXDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-3-6-11-12-10(5-4-9(2)15)13-14(11)7-8/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one?
4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-2-one is sourced from PubChem (CID 116989620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).