prop-2-enamide;1,3,5-triazine-2,4,6-triamine

C6H11N7O — CID 21162911

IUPACprop-2-enamide;1,3,5-triazine-2,4,6-triamine
SMILESC=CC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H5NO/c4-1-7-2(5)9-3(6)8-1;1-2-3(4)5/h(H6,4,5,6,7,8,9);2H,1H2,(H2,4,5)
InChIKeyKYEQSRPOTWVMBF-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.72
Rot. Bonds1

About prop-2-enamide;1,3,5-triazine-2,4,6-triamine

prop-2-enamide;1,3,5-triazine-2,4,6-triamine (PubChem CID 21162911) has the molecular formula C6H11N7O and a molecular weight of 197.20 g/mol. Its IUPAC name is prop-2-enamide;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameprop-2-enamide;1,3,5-triazine-2,4,6-triamine
PubChem CID21162911
Molecular FormulaC6H11N7O
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Nameprop-2-enamide;1,3,5-triazine-2,4,6-triamine
SMILESC=CC(N)=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H5NO/c4-1-7-2(5)9-3(6)8-1;1-2-3(4)5/h(H6,4,5,6,7,8,9);2H,1H2,(H2,4,5)
InChIKeyKYEQSRPOTWVMBF-UHFFFAOYSA-N
XLogP-1.72
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of prop-2-enamide;1,3,5-triazine-2,4,6-triamine (CID 21162911) is prop-2-enamide;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for prop-2-enamide;1,3,5-triazine-2,4,6-triamine is C=CC(N)=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The InChIKey is KYEQSRPOTWVMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H5NO/c4-1-7-2(5)9-3(6)8-1;1-2-3(4)5/h(H6,4,5,6,7,8,9);2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
prop-2-enamide;1,3,5-triazine-2,4,6-triamine has a molecular weight of 197.20 g/mol, XLogP of -1.72, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21162911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).