N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine

C10H10F3N5O — CID 19436810

IUPACN-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine
SMILESCNc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C10H10F3N5O/c1-14-6-3-8(16-15-5-6)19-9-4-7(10(11,12)13)17-18(9)2/h3-5H,1-2H3,(H,14,16)
InChIKeyVPOKQGQQSGGZSG-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine

N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine (PubChem CID 19436810) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine
PubChem CID19436810
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC NameN-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine
SMILESCNc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C10H10F3N5O/c1-14-6-3-8(16-15-5-6)19-9-4-7(10(11,12)13)17-18(9)2/h3-5H,1-2H3,(H,14,16)
InChIKeyVPOKQGQQSGGZSG-UHFFFAOYSA-N
XLogP2.06
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine?
The IUPAC name of N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine (CID 19436810) is N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine.
What is the SMILES notation for N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine?
The canonical SMILES for N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine is CNc1cnnc(Oc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine?
The InChIKey is VPOKQGQQSGGZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-14-6-3-8(16-15-5-6)19-9-4-7(10(11,12)13)17-18(9)2/h3-5H,1-2H3,(H,14,16).
What are the key properties of N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine?
N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine has a molecular weight of 273.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazin-4-amine is sourced from PubChem (CID 19436810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).