6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine

C17H19FN6 — CID 126809435

IUPAC6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(F)c2)nnc1NCC(C)c1nncn1C
InChIInChI=1S/C17H19FN6/c1-11-7-15(13-5-4-6-14(18)8-13)21-22-16(11)19-9-12(2)17-23-20-10-24(17)3/h4-8,10,12H,9H2,1-3H3,(H,19,22)
InChIKeyXGSRMMQDOWHQIW-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.94
Rot. Bonds5

About 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine

6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine (PubChem CID 126809435) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine
PubChem CID126809435
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(F)c2)nnc1NCC(C)c1nncn1C
InChIInChI=1S/C17H19FN6/c1-11-7-15(13-5-4-6-14(18)8-13)21-22-16(11)19-9-12(2)17-23-20-10-24(17)3/h4-8,10,12H,9H2,1-3H3,(H,19,22)
InChIKeyXGSRMMQDOWHQIW-UHFFFAOYSA-N
XLogP2.94
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[2-(4-fluorophenyl)propylamino]-5-methylpyridazin-3-yl]benzonitrile
CID 139323938
cis-(1R,2S)-4-[[6-(3-fluorophenyl)-4-methylpyridazin-3-yl]amino]cyclohexane-1,2-diol
CID 167900200
1-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94251748
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 46705133
2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid
CID 167888031
3-fluoro-4-(3-fluorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 86788070
5-iodo-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyrazin-2-amine
CID 139018469
4-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 119037288
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43707229
2-amino-5-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62119723
N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 86818810

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine?
The IUPAC name of 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine (CID 126809435) is 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine?
The canonical SMILES for 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine is Cc1cc(-c2cccc(F)c2)nnc1NCC(C)c1nncn1C.
What is the InChIKey of 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine?
The InChIKey is XGSRMMQDOWHQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-11-7-15(13-5-4-6-14(18)8-13)21-22-16(11)19-9-12(2)17-23-20-10-24(17)3/h4-8,10,12H,9H2,1-3H3,(H,19,22).
What are the key properties of 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine?
6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine has a molecular weight of 326.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]pyridazin-3-amine is sourced from PubChem (CID 126809435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).