N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine

C12H14F3N5 — CID 84595728

IUPACN-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(N(C)CCC(F)(F)F)nn2)n1
InChIInChI=1S/C12H14F3N5/c1-9-5-7-20(18-9)11-4-3-10(16-17-11)19(2)8-6-12(13,14)15/h3-5,7H,6,8H2,1-2H3
InChIKeyCIFIMFIETYAXJX-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.36
Rot. Bonds4

About N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine

N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine (PubChem CID 84595728) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
PubChem CID84595728
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(N(C)CCC(F)(F)F)nn2)n1
InChIInChI=1S/C12H14F3N5/c1-9-5-7-20(18-9)11-4-3-10(16-17-11)19(2)8-6-12(13,14)15/h3-5,7H,6,8H2,1-2H3
InChIKeyCIFIMFIETYAXJX-UHFFFAOYSA-N
XLogP2.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine (CID 84595728) is N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine is Cc1ccn(-c2ccc(N(C)CCC(F)(F)F)nn2)n1.
What is the InChIKey of N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
The InChIKey is CIFIMFIETYAXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-9-5-7-20(18-9)11-4-3-10(16-17-11)19(2)8-6-12(13,14)15/h3-5,7H,6,8H2,1-2H3.
What are the key properties of N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine?
N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine has a molecular weight of 285.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylpyrazol-1-yl)-N-(3,3,3-trifluoropropyl)pyridazin-3-amine is sourced from PubChem (CID 84595728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).