4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one

C13H18N6O — CID 146109753

IUPAC4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESCc1nc(N2CCN(Cc3cc[nH]c(=O)c3)CC2)n[nH]1
InChIInChI=1S/C13H18N6O/c1-10-15-13(17-16-10)19-6-4-18(5-7-19)9-11-2-3-14-12(20)8-11/h2-3,8H,4-7,9H2,1H3,(H,14,20)(H,15,16,17)
InChIKeyXUMBYUHVBPYVMB-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.12
Rot. Bonds3

About 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one

4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 146109753) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID146109753
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one
SMILESCc1nc(N2CCN(Cc3cc[nH]c(=O)c3)CC2)n[nH]1
InChIInChI=1S/C13H18N6O/c1-10-15-13(17-16-10)19-6-4-18(5-7-19)9-11-2-3-14-12(20)8-11/h2-3,8H,4-7,9H2,1H3,(H,14,20)(H,15,16,17)
InChIKeyXUMBYUHVBPYVMB-UHFFFAOYSA-N
XLogP0.12
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 53191798
4-(piperazin-1-ylmethyl)-1H-pyridin-2-one
CID 82505119
N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146139380
3-[4-[[3-bromo-4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267641
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316237
1-[(3-fluorophenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine
CID 127265450
4-[2-methoxy-5-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methyl]phenyl]-1H-pyridin-2-one
CID 170504050
4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379737
4-[(4-quinoxalin-2-yloxypiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 166250918
4-(4-benzyl-1,4-diazepan-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 154779983
1-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 78845397
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one (CID 146109753) is 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one is Cc1nc(N2CCN(Cc3cc[nH]c(=O)c3)CC2)n[nH]1.
What is the InChIKey of 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is XUMBYUHVBPYVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-15-13(17-16-10)19-6-4-18(5-7-19)9-11-2-3-14-12(20)8-11/h2-3,8H,4-7,9H2,1H3,(H,14,20)(H,15,16,17).
What are the key properties of 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one?
4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 274.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 146109753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).