2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

C7H12N6O — CID 70363132

IUPAC2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCNc1nc(N)nc(N)n1
InChIInChI=1S/C7H12N6O/c1-2-3-14-4-10-7-12-5(8)11-6(9)13-7/h2H,1,3-4H2,(H5,8,9,10,11,12,13)
InChIKeyGNXQKFURHYMFKG-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.39
Rot. Bonds5

About 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 70363132) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID70363132
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCNc1nc(N)nc(N)n1
InChIInChI=1S/C7H12N6O/c1-2-3-14-4-10-7-12-5(8)11-6(9)13-7/h2H,1,3-4H2,(H5,8,9,10,11,12,13)
InChIKeyGNXQKFURHYMFKG-UHFFFAOYSA-N
XLogP-0.39
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 70363132) is 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=CCOCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GNXQKFURHYMFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c1-2-3-14-4-10-7-12-5(8)11-6(9)13-7/h2H,1,3-4H2,(H5,8,9,10,11,12,13).
What are the key properties of 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 196.21 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70363132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).