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

C9H10N6O2 — CID 71353533

IUPACN-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(N)nc(NC(=O)C=C)n1
InChIInChI=1S/C9H10N6O2/c1-3-5(16)11-8-13-7(10)14-9(15-8)12-6(17)4-2/h3-4H,1-2H2,(H4,10,11,12,13,14,15,16,17)
InChIKeyGRLWOKIZHWTEJG-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.30
Rot. Bonds4

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

N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide (PubChem CID 71353533) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide
PubChem CID71353533
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(N)nc(NC(=O)C=C)n1
InChIInChI=1S/C9H10N6O2/c1-3-5(16)11-8-13-7(10)14-9(15-8)12-6(17)4-2/h3-4H,1-2H2,(H4,10,11,12,13,14,15,16,17)
InChIKeyGRLWOKIZHWTEJG-UHFFFAOYSA-N
XLogP-0.30
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide?
The IUPAC name of N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide (CID 71353533) is N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide.
What is the SMILES notation for N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide?
The canonical SMILES for N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide is C=CC(=O)Nc1nc(N)nc(NC(=O)C=C)n1.
What is the InChIKey of N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide?
The InChIKey is GRLWOKIZHWTEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-3-5(16)11-8-13-7(10)14-9(15-8)12-6(17)4-2/h3-4H,1-2H2,(H4,10,11,12,13,14,15,16,17).
What are the key properties of N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide?
N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide has a molecular weight of 234.22 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(prop-2-enoylamino)-1,3,5-triazin-2-yl]prop-2-enamide is sourced from PubChem (CID 71353533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).