2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

C7H12N6O — CID 87199239

IUPAC2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C7H12N6O/c1-3-4-13(14-2)7-11-5(8)10-6(9)12-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12)
InChIKeyIAHBQGQLIPJPFM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.41
Rot. Bonds4

About 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 87199239) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID87199239
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C7H12N6O/c1-3-4-13(14-2)7-11-5(8)10-6(9)12-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12)
InChIKeyIAHBQGQLIPJPFM-UHFFFAOYSA-N
XLogP-0.41
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

Oxonazine
CID 168891
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 5304492
CID 2056339
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
2-N-ethyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 11389781
2-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 22118051
formaldehyde;2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 69532635
N-(4,6-diamino-1,3,5-triazin-2-yl)-N-prop-2-enylhydroxylamine
CID 87852724
N-[4-amino-6-(dihydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
CID 88519542
N-[4-amino-6-(hydroxyamino)-1,3,5-triazin-2-yl]-N-prop-2-enylhydroxylamine
CID 88519544
N-(4-Allylamino-6-prop-2-ynylamino-[1,3,5]triazin-2-yl)-O,N-dimethyl-hydroxylamine
CID 90158938
2-N-ethenoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 117665074

Frequently Asked Questions

What is the IUPAC name of 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 87199239) is 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCN(OC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IAHBQGQLIPJPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c1-3-4-13(14-2)7-11-5(8)10-6(9)12-7/h3H,1,4H2,2H3,(H4,8,9,10,11,12).
What are the key properties of 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 196.21 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 87199239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).