6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine

C16H21F3N6 — CID 133486674

IUPAC6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCC3CCN(CC(F)(F)F)CC3)nn2)n1
InChIInChI=1S/C16H21F3N6/c1-12-4-9-25(23-12)15-3-2-14(21-22-15)20-10-13-5-7-24(8-6-13)11-16(17,18)19/h2-4,9,13H,5-8,10-11H2,1H3,(H,20,21)
InChIKeyAJXCHTIVYPYLQW-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.66
Rot. Bonds5

About 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine

6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine (PubChem CID 133486674) has the molecular formula C16H21F3N6 and a molecular weight of 354.38 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine
PubChem CID133486674
Molecular FormulaC16H21F3N6
Molecular Weight354.38 g/mol
Exact Mass354.18
IUPAC Name6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine
SMILESCc1ccn(-c2ccc(NCC3CCN(CC(F)(F)F)CC3)nn2)n1
InChIInChI=1S/C16H21F3N6/c1-12-4-9-25(23-12)15-3-2-14(21-22-15)20-10-13-5-7-24(8-6-13)11-16(17,18)19/h2-4,9,13H,5-8,10-11H2,1H3,(H,20,21)
InChIKeyAJXCHTIVYPYLQW-UHFFFAOYSA-N
XLogP2.66
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133441969
6-(3-methylpyrazol-1-yl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 167828754
N-[(1-cyclopentylpyrazol-3-yl)methyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133385992
2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133486689
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133317757
3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122327081
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
CID 133486848
3-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133486938
4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 60856650
6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
CID 133449534

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine (CID 133486674) is 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine is Cc1ccn(-c2ccc(NCC3CCN(CC(F)(F)F)CC3)nn2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine?
The InChIKey is AJXCHTIVYPYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6/c1-12-4-9-25(23-12)15-3-2-14(21-22-15)20-10-13-5-7-24(8-6-13)11-16(17,18)19/h2-4,9,13H,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine?
6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine has a molecular weight of 354.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 133486674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).