N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

C12H16N6O3 — CID 80913304

IUPACN-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(NN)nc(OC)n2)cc(OC)c1
InChIInChI=1S/C12H16N6O3/c1-19-8-4-7(5-9(6-8)20-2)14-10-15-11(18-13)17-12(16-10)21-3/h4-6H,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyVPJMLNNYFFLRPG-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.93
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine

N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80913304) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80913304
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC NameN-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2nc(NN)nc(OC)n2)cc(OC)c1
InChIInChI=1S/C12H16N6O3/c1-19-8-4-7(5-9(6-8)20-2)14-10-15-11(18-13)17-12(16-10)21-3/h4-6H,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyVPJMLNNYFFLRPG-UHFFFAOYSA-N
XLogP0.93
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909705
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80916230
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507
4-hydrazinyl-6-methoxy-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-amine
CID 107647301
5-bromo-N-(3,5-dimethoxyphenyl)-4-hydrazinylpyrimidin-2-amine
CID 59353304
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905494
N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915610
2-N-(3,5-difluorophenyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762233

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 80913304) is N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1cc(Nc2nc(NN)nc(OC)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is VPJMLNNYFFLRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-19-8-4-7(5-9(6-8)20-2)14-10-15-11(18-13)17-12(16-10)21-3/h4-6H,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 292.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80913304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).