formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine

C13H23N7O3 — CID 6452400

IUPACformaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine
SMILESC=CC(=O)NC(C)(C)CC(C)=O.C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C9H15NO2.C3H6N6.CH2O/c1-5-8(12)10-9(3,4)6-7(2)11;4-1-7-2(5)9-3(6)8-1;1-2/h5H,1,6H2,2-4H3,(H,10,12);(H6,4,5,6,7,8,9);1H2
InChIKeyYKTJPTWRSCIJHT-UHFFFAOYSA-N
MW325.37 g/mol
LogP-0.52
Rot. Bonds4

About formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine

formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine (PubChem CID 6452400) has the molecular formula C13H23N7O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine
PubChem CID6452400
Molecular FormulaC13H23N7O3
Molecular Weight325.37 g/mol
Exact Mass325.19
IUPAC Nameformaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine
SMILESC=CC(=O)NC(C)(C)CC(C)=O.C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C9H15NO2.C3H6N6.CH2O/c1-5-8(12)10-9(3,4)6-7(2)11;4-1-7-2(5)9-3(6)8-1;1-2/h5H,1,6H2,2-4H3,(H,10,12);(H6,4,5,6,7,8,9);1H2
InChIKeyYKTJPTWRSCIJHT-UHFFFAOYSA-N
XLogP-0.52
TPSA179.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine 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 formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine (CID 6452400) is formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine is C=CC(=O)NC(C)(C)CC(C)=O.C=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The InChIKey is YKTJPTWRSCIJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C3H6N6.CH2O/c1-5-8(12)10-9(3,4)6-7(2)11;4-1-7-2(5)9-3(6)8-1;1-2/h5H,1,6H2,2-4H3,(H,10,12);(H6,4,5,6,7,8,9);1H2.
What are the key properties of formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine has a molecular weight of 325.37 g/mol, XLogP of -0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 6452400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).