2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one

C19H20N6O2 — CID 135890725

IUPAC2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)c3cccc(-c4ncn[nH]4)c3)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H20N6O2/c1-12-22-16(10-17(26)23-12)13-5-7-25(8-6-13)19(27)15-4-2-3-14(9-15)18-20-11-21-24-18/h2-4,9-11,13H,5-8H2,1H3,(H,20,21,24)(H,22,23,26)
InChIKeyNYMNYWLAONASBF-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.88
Rot. Bonds3

About 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 135890725) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID135890725
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)c3cccc(-c4ncn[nH]4)c3)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H20N6O2/c1-12-22-16(10-17(26)23-12)13-5-7-25(8-6-13)19(27)15-4-2-3-14(9-15)18-20-11-21-24-18/h2-4,9-11,13H,5-8H2,1H3,(H,20,21,24)(H,22,23,26)
InChIKeyNYMNYWLAONASBF-UHFFFAOYSA-N
XLogP1.88
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4aS,8aR)-6-[3-(1H-1,2,4-triazol-5-yl)benzoyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 124890683
4-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135963222
2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 155505565
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
2-methyl-4-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135858684
4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136822759
2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 137296107
2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816696
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 146130656
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 166199211
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95824132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 135890725) is 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one is Cc1nc(C2CCN(C(=O)c3cccc(-c4ncn[nH]4)c3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is NYMNYWLAONASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-22-16(10-17(26)23-12)13-5-7-25(8-6-13)19(27)15-4-2-3-14(9-15)18-20-11-21-24-18/h2-4,9-11,13H,5-8H2,1H3,(H,20,21,24)(H,22,23,26).
What are the key properties of 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one?
2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 364.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135890725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).