6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one

C17H18N6O2 — CID 136780272

IUPAC6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(N2CCN(c3ccccn3)CC2)nnc1Cc1ccco1
InChIInChI=1S/C17H18N6O2/c24-16-14(12-13-4-3-11-25-13)20-21-17(19-16)23-9-7-22(8-10-23)15-5-1-2-6-18-15/h1-6,11H,7-10,12H2,(H,19,21,24)
InChIKeyBZIFGGFXHDAIOL-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.07
Rot. Bonds4

About 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one

6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one (PubChem CID 136780272) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
PubChem CID136780272
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(N2CCN(c3ccccn3)CC2)nnc1Cc1ccco1
InChIInChI=1S/C17H18N6O2/c24-16-14(12-13-4-3-11-25-13)20-21-17(19-16)23-9-7-22(8-10-23)15-5-1-2-6-18-15/h1-6,11H,7-10,12H2,(H,19,21,24)
InChIKeyBZIFGGFXHDAIOL-UHFFFAOYSA-N
XLogP1.07
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 165345963
6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one
CID 136779754
N-(furan-2-ylmethyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112915331
5-ethyl-4-(methoxymethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135911496
3-(2-chloroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135582129
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
N-ethyl-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 24719420
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8616057
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
6-(furan-2-ylmethyl)-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
CID 135681439

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one (CID 136780272) is 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one is O=c1[nH]c(N2CCN(c3ccccn3)CC2)nnc1Cc1ccco1.
What is the InChIKey of 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one?
The InChIKey is BZIFGGFXHDAIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16-14(12-13-4-3-11-25-13)20-21-17(19-16)23-9-7-22(8-10-23)15-5-1-2-6-18-15/h1-6,11H,7-10,12H2,(H,19,21,24).
What are the key properties of 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one?
6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one has a molecular weight of 338.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136780272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).