4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine

C10H11N5O — CID 117085765

IUPAC4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C10H11N5O/c1-16-10-14-8(13-9(12)15-10)6-3-2-4-7(11)5-6/h2-5H,11H2,1H3,(H2,12,13,14,15)
InChIKeyZLQGDDWMKWKOQK-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.71
Rot. Bonds2

About 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine

4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 117085765) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID117085765
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C10H11N5O/c1-16-10-14-8(13-9(12)15-10)6-3-2-4-7(11)5-6/h2-5H,11H2,1H3,(H2,12,13,14,15)
InChIKeyZLQGDDWMKWKOQK-UHFFFAOYSA-N
XLogP0.71
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 34542
CID 34542
CID 273484
CID 273484
CID 274851
CID 274851
CID 1515256
CID 1515256
CID 2256009
CID 2256009
CID 12218238
CID 12218238
CID 89706269
CID 89706269
CID 35254
CID 35254
CID 273485
CID 273485
CID 6461045
CID 6461045
CID 172081
CID 172081
CID 356407
CID 356407

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine (CID 117085765) is 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(-c2cccc(N)c2)n1.
What is the InChIKey of 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is ZLQGDDWMKWKOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-16-10-14-8(13-9(12)15-10)6-3-2-4-7(11)5-6/h2-5H,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine?
4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 217.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 117085765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).