4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

C7H9ClN4O2 — CID 100921240

IUPAC4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(Cl)nc(NOC)n1
InChIInChI=1S/C7H9ClN4O2/c1-3-4-14-7-10-5(8)9-6(11-7)12-13-2/h3H,1,4H2,2H3,(H,9,10,11,12)
InChIKeyFYDCPBYIVSIAGE-UHFFFAOYSA-N
MW216.63 g/mol
LogP1.06
Rot. Bonds5

About 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 100921240) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID100921240
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(Cl)nc(NOC)n1
InChIInChI=1S/C7H9ClN4O2/c1-3-4-14-7-10-5(8)9-6(11-7)12-13-2/h3H,1,4H2,2H3,(H,9,10,11,12)
InChIKeyFYDCPBYIVSIAGE-UHFFFAOYSA-N
XLogP1.06
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 100921240) is 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(Cl)nc(NOC)n1.
What is the InChIKey of 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is FYDCPBYIVSIAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c1-3-4-14-7-10-5(8)9-6(11-7)12-13-2/h3H,1,4H2,2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 216.63 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 100921240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).