6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one

C11H14N4O2 — CID 136779754

IUPAC6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one
SMILESCCCNc1nnc(Cc2ccco2)c(=O)[nH]1
InChIInChI=1S/C11H14N4O2/c1-2-5-12-11-13-10(16)9(14-15-11)7-8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H2,12,13,15,16)
InChIKeyLPMAJENKOLZDGT-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.17
Rot. Bonds5

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

6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one (PubChem CID 136779754) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one
PubChem CID136779754
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one
SMILESCCCNc1nnc(Cc2ccco2)c(=O)[nH]1
InChIInChI=1S/C11H14N4O2/c1-2-5-12-11-13-10(16)9(14-15-11)7-8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H2,12,13,15,16)
InChIKeyLPMAJENKOLZDGT-UHFFFAOYSA-N
XLogP1.17
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-fluorophenyl)ethylamino]-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780331
3-(2-ethylanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135721958
6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
CID 135510455
6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 165345963
6-(furan-2-ylmethyl)-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
CID 135681439
3-(2-chloroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135582129
3-[4-(dimethylamino)anilino]-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136778903
3-(cyclooctylamino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136683781
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780407
3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779265
6-(furan-2-ylmethyl)-3-[4-(4-propylpiperazin-1-yl)anilino]-4H-1,2,4-triazin-5-one
CID 136779463
3-(2,5-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779320

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one (CID 136779754) is 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one is CCCNc1nnc(Cc2ccco2)c(=O)[nH]1.
What is the InChIKey of 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is LPMAJENKOLZDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-5-12-11-13-10(16)9(14-15-11)7-8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H2,12,13,15,16).
What are the key properties of 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one?
6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 234.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).