6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine

C14H16FN3 — CID 114872900

IUPAC6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine
SMILESCCCNc1cc(C)c(-c2cccc(F)c2)nn1
InChIInChI=1S/C14H16FN3/c1-3-7-16-13-8-10(2)14(18-17-13)11-5-4-6-12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,17)
InChIKeyOWNRTOSWEGVPPW-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.41
Rot. Bonds4

About 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine

6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine (PubChem CID 114872900) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine
PubChem CID114872900
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine
SMILESCCCNc1cc(C)c(-c2cccc(F)c2)nn1
InChIInChI=1S/C14H16FN3/c1-3-7-16-13-8-10(2)14(18-17-13)11-5-4-6-12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,17)
InChIKeyOWNRTOSWEGVPPW-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine?
The IUPAC name of 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine (CID 114872900) is 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine?
The canonical SMILES for 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine is CCCNc1cc(C)c(-c2cccc(F)c2)nn1.
What is the InChIKey of 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine?
The InChIKey is OWNRTOSWEGVPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-7-16-13-8-10(2)14(18-17-13)11-5-4-6-12(15)9-11/h4-6,8-9H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine?
6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine has a molecular weight of 245.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-methyl-N-propylpyridazin-3-amine is sourced from PubChem (CID 114872900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).