N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide

C9H10N6O2 — CID 21464697

IUPACN-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(C(=O)C=C)c1nc(N)nc(N)n1
InChIInChI=1S/C9H10N6O2/c1-3-5(16)15(6(17)4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2H2,(H4,10,11,12,13,14)
InChIKeyHFDVBWINGRYLLH-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.73
Rot. Bonds3

About N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide

N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide (PubChem CID 21464697) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide
PubChem CID21464697
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(C(=O)C=C)c1nc(N)nc(N)n1
InChIInChI=1S/C9H10N6O2/c1-3-5(16)15(6(17)4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2H2,(H4,10,11,12,13,14)
InChIKeyHFDVBWINGRYLLH-UHFFFAOYSA-N
XLogP-0.73
TPSA128.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Trisacrylamido-1,3,5-triazine
CID 11500216
Acryl-Melamin
CID 22235146
1-[4,6-Bis(2,5-dioxopyrrol-1-yl)-1,3,5-triazin-2-yl]pyrrole-2,5-dione
CID 22712674
N-[[(4,6-diamino-1,3,5-triazin-2-yl)amino]-bis(prop-2-enoylamino)methyl]prop-2-enamide
CID 57159827
N,N'-(6-Amino-1,3,5-triazine-2,4-diyl)di(prop-2-enamide)
CID 71353533
1-(4-Amino-6-chloro-1,3,5-triazin-2-yl)pyrrole-2,5-dione
CID 134294572
N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide;hydrate
CID 139896213
N-carbamoylprop-2-enamide;1,3,5-triazine-2,4,6-triamine;urea
CID 157954196
N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide;formaldehyde
CID 161887688
N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide;isocyanic acid
CID 177732623

Frequently Asked Questions

What is the IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide (CID 21464697) is N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(C(=O)C=C)c1nc(N)nc(N)n1.
What is the InChIKey of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide?
The InChIKey is HFDVBWINGRYLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-3-5(16)15(6(17)4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2H2,(H4,10,11,12,13,14).
What are the key properties of N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide?
N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide has a molecular weight of 234.22 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 21464697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).