4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine

C9H15N5O2 — CID 909749

IUPAC4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
SMILESCOc1nc(ON=C(C)C)nc(N(C)C)n1
InChIInChI=1S/C9H15N5O2/c1-6(2)13-16-9-11-7(14(3)4)10-8(12-9)15-5/h1-5H3
InChIKeyOJJYFQHTYGYEPF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.72
Rot. Bonds4

About 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine

4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine (PubChem CID 909749) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
PubChem CID909749
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
SMILESCOc1nc(ON=C(C)C)nc(N(C)C)n1
InChIInChI=1S/C9H15N5O2/c1-6(2)13-16-9-11-7(14(3)4)10-8(12-9)15-5/h1-5H3
InChIKeyOJJYFQHTYGYEPF-UHFFFAOYSA-N
XLogP0.72
TPSA72.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine (CID 909749) is 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine is COc1nc(ON=C(C)C)nc(N(C)C)n1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine?
The InChIKey is OJJYFQHTYGYEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6(2)13-16-9-11-7(14(3)4)10-8(12-9)15-5/h1-5H3.
What are the key properties of 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine?
4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 909749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).