4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one

C10H14N4O — CID 164932532

IUPAC4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one
SMILESC=CCN(CC=C)c1nc(C)[nH]c(=O)n1
InChIInChI=1S/C10H14N4O/c1-4-6-14(7-5-2)9-11-8(3)12-10(15)13-9/h4-5H,1-2,6-7H2,3H3,(H,11,12,13,15)
InChIKeyYRWMDBOFDKUPID-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.65
Rot. Bonds5

About 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one

4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one (PubChem CID 164932532) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one
PubChem CID164932532
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one
SMILESC=CCN(CC=C)c1nc(C)[nH]c(=O)n1
InChIInChI=1S/C10H14N4O/c1-4-6-14(7-5-2)9-11-8(3)12-10(15)13-9/h4-5H,1-2,6-7H2,3H3,(H,11,12,13,15)
InChIKeyYRWMDBOFDKUPID-UHFFFAOYSA-N
XLogP0.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[bis(prop-2-enyl)amino]-6-methyl-1H-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-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one (CID 164932532) is 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one is C=CCN(CC=C)c1nc(C)[nH]c(=O)n1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one?
The InChIKey is YRWMDBOFDKUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-4-6-14(7-5-2)9-11-8(3)12-10(15)13-9/h4-5H,1-2,6-7H2,3H3,(H,11,12,13,15).
What are the key properties of 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one?
4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 164932532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).