6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one

C15H14N4O2 — CID 135510455

IUPAC6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCc2ccco2)nnc1Cc1ccccc1
InChIInChI=1S/C15H14N4O2/c20-14-13(9-11-5-2-1-3-6-11)18-19-15(17-14)16-10-12-7-4-8-21-12/h1-8H,9-10H2,(H2,16,17,19,20)
InChIKeyKPWRHFCFYCBVSA-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.96
Rot. Bonds5

About 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one

6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135510455) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135510455
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCc2ccco2)nnc1Cc1ccccc1
InChIInChI=1S/C15H14N4O2/c20-14-13(9-11-5-2-1-3-6-11)18-19-15(17-14)16-10-12-7-4-8-21-12/h1-8H,9-10H2,(H2,16,17,19,20)
InChIKeyKPWRHFCFYCBVSA-UHFFFAOYSA-N
XLogP1.96
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-3-(furan-2-ylmethylamino)-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-(propylamino)-4H-1,2,4-triazin-5-one
CID 136779754
3-[2-(4-fluorophenyl)ethylamino]-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780331
6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
CID 135408009
3-(2-chloroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135582129
3-(4-anilinoanilino)-6-benzyl-4H-1,2,4-triazin-5-one
CID 135594235
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780407
3-(2-ethylanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135721958
3-(cyclooctylamino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136683781
6-benzyl-3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135774769
6-benzyl-3-(2-fluoroanilino)-4H-1,2,4-triazin-5-one
CID 135582178
6-benzyl-3-(3-butoxypropylamino)-4H-1,2,4-triazin-5-one
CID 136779629
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-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one (CID 135510455) is 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one is O=c1[nH]c(NCc2ccco2)nnc1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is KPWRHFCFYCBVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-14-13(9-11-5-2-1-3-6-11)18-19-15(17-14)16-10-12-7-4-8-21-12/h1-8H,9-10H2,(H2,16,17,19,20).
What are the key properties of 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one?
6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 282.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135510455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).