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

C11H13FN6O2 — CID 114841199

IUPACN-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(Nc2ccc(F)c(OC)c2)n1
InChIInChI=1S/C11H13FN6O2/c1-19-8-5-6(3-4-7(8)12)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySBTDDIMZEHFNAT-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.06
Rot. Bonds5

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

N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 114841199) has the molecular formula C11H13FN6O2 and a molecular weight of 280.26 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID114841199
Molecular FormulaC11H13FN6O2
Molecular Weight280.26 g/mol
Exact Mass280.11
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NN)nc(Nc2ccc(F)c(OC)c2)n1
InChIInChI=1S/C11H13FN6O2/c1-19-8-5-6(3-4-7(8)12)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeySBTDDIMZEHFNAT-UHFFFAOYSA-N
XLogP1.06
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-(4-fluoro-3-methoxyphenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976084
N-(3,4-dimethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80916230
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
N-(5-chloro-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80926064
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62861592
4-hydrazinyl-6-methoxy-N-(2,3,5,6-tetrafluorophenyl)-1,3,5-triazin-2-amine
CID 107647301
N-(2,6-difluoro-3-methylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 82822031
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
N-(3,5-dimethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80913304
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
N-(3-ethylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80927507

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine (CID 114841199) is N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NN)nc(Nc2ccc(F)c(OC)c2)n1.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is SBTDDIMZEHFNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6O2/c1-19-8-5-6(3-4-7(8)12)14-9-15-10(18-13)17-11(16-9)20-2/h3-5H,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine?
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 280.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114841199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).