N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine

C18H14FN5 — CID 71092096

IUPACN-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
SMILESFCc1ccccc1-c1cnnc(Nc2n[nH]c3ccccc23)c1
InChIInChI=1S/C18H14FN5/c19-10-12-5-1-2-6-14(12)13-9-17(23-20-11-13)21-18-15-7-3-4-8-16(15)22-24-18/h1-9,11H,10H2,(H2,21,22,23,24)
InChIKeyLEASYUCBUQQELE-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.23
Rot. Bonds4

About N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine

N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine (PubChem CID 71092096) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
PubChem CID71092096
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC NameN-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine
SMILESFCc1ccccc1-c1cnnc(Nc2n[nH]c3ccccc23)c1
InChIInChI=1S/C18H14FN5/c19-10-12-5-1-2-6-14(12)13-9-17(23-20-11-13)21-18-15-7-3-4-8-16(15)22-24-18/h1-9,11H,10H2,(H2,21,22,23,24)
InChIKeyLEASYUCBUQQELE-UHFFFAOYSA-N
XLogP4.23
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?
The IUPAC name of N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine (CID 71092096) is N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine is FCc1ccccc1-c1cnnc(Nc2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?
The InChIKey is LEASYUCBUQQELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-10-12-5-1-2-6-14(12)13-9-17(23-20-11-13)21-18-15-7-3-4-8-16(15)22-24-18/h1-9,11H,10H2,(H2,21,22,23,24).
What are the key properties of N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine?
N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine has a molecular weight of 319.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(fluoromethyl)phenyl]pyridazin-3-yl]-1H-indazol-3-amine is sourced from PubChem (CID 71092096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).