4-(3-fluoro-4-pyridinyl)phthalazin-1-amine

C13H9FN4 — CID 104739186

IUPAC4-(3-fluoro-4-pyridinyl)phthalazin-1-amine
SMILESNc1nnc(-c2ccncc2F)c2ccccc12
InChIInChI=1S/C13H9FN4/c14-11-7-16-6-5-10(11)12-8-3-1-2-4-9(8)13(15)18-17-12/h1-7H,(H2,15,18)
InChIKeyMAXZJEMSVXSHJV-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.41
Rot. Bonds1

About 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine

4-(3-fluoro-4-pyridinyl)phthalazin-1-amine (PubChem CID 104739186) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)phthalazin-1-amine
PubChem CID104739186
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name4-(3-fluoro-4-pyridinyl)phthalazin-1-amine
SMILESNc1nnc(-c2ccncc2F)c2ccccc12
InChIInChI=1S/C13H9FN4/c14-11-7-16-6-5-10(11)12-8-3-1-2-4-9(8)13(15)18-17-12/h1-7H,(H2,15,18)
InChIKeyMAXZJEMSVXSHJV-UHFFFAOYSA-N
XLogP2.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-3-iodo-1,2,4-triazine
CID 146548811
1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 175849953
4-(3-fluoro-4-methylphenyl)phthalazin-1-amine
CID 115502629
4-(4-fluoro-2-methoxyphenyl)pyrido[3,4-d]pyridazin-1-amine
CID 170279897
4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine
CID 104739316
3-(2-fluorophenyl)-1,6-naphthyridin-2-amine
CID 171354245
2-(3-fluoro-4-pyridinyl)-3-methylindol-1-amine
CID 151033817
4-(4-methylsulfanylphenyl)phthalazin-1-amine
CID 154206960
5-(3-fluoro-4-pyridinyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521210
6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine
CID 104739267
4-(2-bromophenyl)-3-(3-fluoro-4-pyridinyl)-1-methylpyrazol-5-amine
CID 64949706
chromeno[4,3-c]pyrazol-3-amine
CID 12540550

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine (CID 104739186) is 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine is Nc1nnc(-c2ccncc2F)c2ccccc12.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine?
The InChIKey is MAXZJEMSVXSHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-11-7-16-6-5-10(11)12-8-3-1-2-4-9(8)13(15)18-17-12/h1-7H,(H2,15,18).
What are the key properties of 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine?
4-(3-fluoro-4-pyridinyl)phthalazin-1-amine has a molecular weight of 240.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)phthalazin-1-amine is sourced from PubChem (CID 104739186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).