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

C7H13N7O2 — CID 158675404

IUPACformaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine
SMILESC=CC(N)=O.C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H5NO.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2-3(4)5;1-2/h(H6,4,5,6,7,8,9);2H,1H2,(H2,4,5);1H2
InChIKeyIELJJQXQMDRCEP-UHFFFAOYSA-N
MW227.23 g/mol
LogP-1.91
Rot. Bonds1

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

formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine (PubChem CID 158675404) has the molecular formula C7H13N7O2 and a molecular weight of 227.23 g/mol. Its IUPAC name is formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine
PubChem CID158675404
Molecular FormulaC7H13N7O2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Nameformaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine
SMILESC=CC(N)=O.C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H5NO.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2-3(4)5;1-2/h(H6,4,5,6,7,8,9);2H,1H2,(H2,4,5);1H2
InChIKeyIELJJQXQMDRCEP-UHFFFAOYSA-N
XLogP-1.91
TPSA176.89 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine (CID 158675404) is formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine is C=CC(N)=O.C=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
The InChIKey is IELJJQXQMDRCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H5NO.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2-3(4)5;1-2/h(H6,4,5,6,7,8,9);2H,1H2,(H2,4,5);1H2.
What are the key properties of formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine?
formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine has a molecular weight of 227.23 g/mol, XLogP of -1.91, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;prop-2-enamide;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158675404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).