N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide

C12H12N6O3 — CID 11500216

IUPACN-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(NC(=O)C=C)nc(NC(=O)C=C)n1
InChIInChI=1S/C12H12N6O3/c1-4-7(19)13-10-16-11(14-8(20)5-2)18-12(17-10)15-9(21)6-3/h4-6H,1-3H2,(H3,13,14,15,16,17,18,19,20,21)
InChIKeyFGYMSBKEVMQOQJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.25
Rot. Bonds6

About N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide

N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide (PubChem CID 11500216) has the molecular formula C12H12N6O3 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide
PubChem CID11500216
Molecular FormulaC12H12N6O3
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC NameN-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(NC(=O)C=C)nc(NC(=O)C=C)n1
InChIInChI=1S/C12H12N6O3/c1-4-7(19)13-10-16-11(14-8(20)5-2)18-12(17-10)15-9(21)6-3/h4-6H,1-3H2,(H3,13,14,15,16,17,18,19,20,21)
InChIKeyFGYMSBKEVMQOQJ-UHFFFAOYSA-N
XLogP0.25
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide 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 N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide?
The IUPAC name of N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide (CID 11500216) is N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide.
What is the SMILES notation for N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide?
The canonical SMILES for N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide is C=CC(=O)Nc1nc(NC(=O)C=C)nc(NC(=O)C=C)n1.
What is the InChIKey of N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide?
The InChIKey is FGYMSBKEVMQOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3/c1-4-7(19)13-10-16-11(14-8(20)5-2)18-12(17-10)15-9(21)6-3/h4-6H,1-3H2,(H3,13,14,15,16,17,18,19,20,21).
What are the key properties of N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide?
N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide has a molecular weight of 288.27 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide is sourced from PubChem (CID 11500216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).