2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

C19H19N5O3 — CID 45239576

IUPAC2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=C(c1ccccn1)C1CCCN(C(=O)Cn2ncn3cccc3c2=O)C1
InChIInChI=1S/C19H19N5O3/c25-17(12-24-19(27)16-7-4-10-23(16)13-21-24)22-9-3-5-14(11-22)18(26)15-6-1-2-8-20-15/h1-2,4,6-8,10,13-14H,3,5,9,11-12H2
InChIKeyZUERCLNSBYTBCZ-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.01
Rot. Bonds4

About 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one

2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 45239576) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID45239576
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESO=C(c1ccccn1)C1CCCN(C(=O)Cn2ncn3cccc3c2=O)C1
InChIInChI=1S/C19H19N5O3/c25-17(12-24-19(27)16-7-4-10-23(16)13-21-24)22-9-3-5-14(11-22)18(26)15-6-1-2-8-20-15/h1-2,4,6-8,10,13-14H,3,5,9,11-12H2
InChIKeyZUERCLNSBYTBCZ-UHFFFAOYSA-N
XLogP1.01
TPSA89.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 77088791
3-benzylsulfanyl-1-[3-(pyridine-2-carbonyl)piperidin-1-yl]propan-1-one
CID 91831465
1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 172670130
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753012
2-(3-methyl-1,2-oxazol-5-yl)-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 124753059
ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate
CID 20884665
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 99935372
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
N-[(1R,2R)-2-methylcyclohexyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 92703858
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
CID 97285326

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 45239576) is 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is O=C(c1ccccn1)C1CCCN(C(=O)Cn2ncn3cccc3c2=O)C1.
What is the InChIKey of 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is ZUERCLNSBYTBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-17(12-24-19(27)16-7-4-10-23(16)13-21-24)22-9-3-5-14(11-22)18(26)15-6-1-2-8-20-15/h1-2,4,6-8,10,13-14H,3,5,9,11-12H2.
What are the key properties of 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one?
2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 365.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 45239576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).