6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile

C10H6F3N5O — CID 19436803

IUPAC6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(C#N)cnn1
InChIInChI=1S/C10H6F3N5O/c1-18-9(3-7(17-18)10(11,12)13)19-8-2-6(4-14)5-15-16-8/h2-3,5H,1H3
InChIKeyPGUSUERXSOLWPN-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.89
Rot. Bonds2

About 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile

6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile (PubChem CID 19436803) has the molecular formula C10H6F3N5O and a molecular weight of 269.19 g/mol. Its IUPAC name is 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile
PubChem CID19436803
Molecular FormulaC10H6F3N5O
Molecular Weight269.19 g/mol
Exact Mass269.05
IUPAC Name6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(C#N)cnn1
InChIInChI=1S/C10H6F3N5O/c1-18-9(3-7(17-18)10(11,12)13)19-8-2-6(4-14)5-15-16-8/h2-3,5H,1H3
InChIKeyPGUSUERXSOLWPN-UHFFFAOYSA-N
XLogP1.89
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile?
The IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile (CID 19436803) is 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile.
What is the SMILES notation for 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile?
The canonical SMILES for 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile is Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)cnn1.
What is the InChIKey of 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile?
The InChIKey is PGUSUERXSOLWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5O/c1-18-9(3-7(17-18)10(11,12)13)19-8-2-6(4-14)5-15-16-8/h2-3,5H,1H3.
What are the key properties of 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile?
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile has a molecular weight of 269.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridazine-4-carbonitrile is sourced from PubChem (CID 19436803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).