1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

C14H18N4O — CID 167832577

IUPAC1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nnc3cc(C)ccn23)CC1
InChIInChI=1S/C14H18N4O/c1-10-3-8-18-13(9-10)15-16-14(18)12-4-6-17(7-5-12)11(2)19/h3,8-9,12H,4-7H2,1-2H3
InChIKeyHIVDBQMQJNXHBE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.76
Rot. Bonds1

About 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 167832577) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID167832577
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nnc3cc(C)ccn23)CC1
InChIInChI=1S/C14H18N4O/c1-10-3-8-18-13(9-10)15-16-14(18)12-4-6-17(7-5-12)11(2)19/h3,8-9,12H,4-7H2,1-2H3
InChIKeyHIVDBQMQJNXHBE-UHFFFAOYSA-N
XLogP1.76
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
7-methyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 75357455
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117144958
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
CID 83886634
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83640668
7-methyl-3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 79020647
2-(4-methylphenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 131927097
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 129397169
(3-methylthiophen-2-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46524423

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (CID 167832577) is 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nnc3cc(C)ccn23)CC1.
What is the InChIKey of 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is HIVDBQMQJNXHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-3-8-18-13(9-10)15-16-14(18)12-4-6-17(7-5-12)11(2)19/h3,8-9,12H,4-7H2,1-2H3.
What are the key properties of 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 167832577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).