4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one

C13H18N4O2 — CID 57103122

IUPAC4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one
SMILESCCCN(CC)c1ncn(Cc2ccco2)c(=O)n1
InChIInChI=1S/C13H18N4O2/c1-3-7-16(4-2)12-14-10-17(13(18)15-12)9-11-6-5-8-19-11/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyKHHBGWNIMRGQNN-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.52
Rot. Bonds6

About 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one

4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one (PubChem CID 57103122) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one
PubChem CID57103122
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one
SMILESCCCN(CC)c1ncn(Cc2ccco2)c(=O)n1
InChIInChI=1S/C13H18N4O2/c1-3-7-16(4-2)12-14-10-17(13(18)15-12)9-11-6-5-8-19-11/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyKHHBGWNIMRGQNN-UHFFFAOYSA-N
XLogP1.52
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one?
The IUPAC name of 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one (CID 57103122) is 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one?
The canonical SMILES for 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one is CCCN(CC)c1ncn(Cc2ccco2)c(=O)n1.
What is the InChIKey of 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one?
The InChIKey is KHHBGWNIMRGQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-7-16(4-2)12-14-10-17(13(18)15-12)9-11-6-5-8-19-11/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one?
4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-1-(furan-2-ylmethyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 57103122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).