1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C10H16N4O — CID 95841300

IUPAC1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nncn2C)CC1
InChIInChI=1S/C10H16N4O/c1-8(15)14-5-3-9(4-6-14)10-12-11-7-13(10)2/h7,9H,3-6H2,1-2H3
InChIKeyLTURNZRXUZPYKW-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.54
Rot. Bonds1

About 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 95841300) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID95841300
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nncn2C)CC1
InChIInChI=1S/C10H16N4O/c1-8(15)14-5-3-9(4-6-14)10-12-11-7-13(10)2/h7,9H,3-6H2,1-2H3
InChIKeyLTURNZRXUZPYKW-UHFFFAOYSA-N
XLogP0.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 154895005
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118774467
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72885363
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51943549
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
CID 97198787
(1-methyl-3-propylpyrazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70706570
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95728100
1-[4-methyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 135096582
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95730649

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 95841300) is 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nncn2C)CC1.
What is the InChIKey of 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is LTURNZRXUZPYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8(15)14-5-3-9(4-6-14)10-12-11-7-13(10)2/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95841300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).