N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide

C15H14N4O3 — CID 71702960

IUPACN-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccccn2c1=O)NCc1ccco1
InChIInChI=1S/C15H14N4O3/c20-14(16-10-11-4-3-9-22-11)7-6-12-15(21)19-8-2-1-5-13(19)18-17-12/h1-5,8-9H,6-7,10H2,(H,16,20)
InChIKeySXHXHRFDPSJOTC-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.93
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide

N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide (PubChem CID 71702960) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide
PubChem CID71702960
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide
SMILESO=C(CCc1nnc2ccccn2c1=O)NCc1ccco1
InChIInChI=1S/C15H14N4O3/c20-14(16-10-11-4-3-9-22-11)7-6-12-15(21)19-8-2-1-5-13(19)18-17-12/h1-5,8-9H,6-7,10H2,(H,16,20)
InChIKeySXHXHRFDPSJOTC-UHFFFAOYSA-N
XLogP0.93
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide (CID 71702960) is N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide is O=C(CCc1nnc2ccccn2c1=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide?
The InChIKey is SXHXHRFDPSJOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-14(16-10-11-4-3-9-22-11)7-6-12-15(21)19-8-2-1-5-13(19)18-17-12/h1-5,8-9H,6-7,10H2,(H,16,20).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide?
N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide has a molecular weight of 298.30 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)propanamide is sourced from PubChem (CID 71702960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).