3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine

C17H14F2N8O — CID 166966215

IUPAC3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine
SMILESCn1nnc(-c2ccc(C(F)F)cn2)c1COc1ccc(-c2cn[nH]c2)nn1
InChIInChI=1S/C17H14F2N8O/c1-27-14(16(25-26-27)13-3-2-10(6-20-13)17(18)19)9-28-15-5-4-12(23-24-15)11-7-21-22-8-11/h2-8,17H,9H2,1H3,(H,21,22)
InChIKeyFVRHMPFOLRWDNY-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.57
Rot. Bonds6

About 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine

3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine (PubChem CID 166966215) has the molecular formula C17H14F2N8O and a molecular weight of 384.35 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine
PubChem CID166966215
Molecular FormulaC17H14F2N8O
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine
SMILESCn1nnc(-c2ccc(C(F)F)cn2)c1COc1ccc(-c2cn[nH]c2)nn1
InChIInChI=1S/C17H14F2N8O/c1-27-14(16(25-26-27)13-3-2-10(6-20-13)17(18)19)9-28-15-5-4-12(23-24-15)11-7-21-22-8-11/h2-8,17H,9H2,1H3,(H,21,22)
InChIKeyFVRHMPFOLRWDNY-UHFFFAOYSA-N
XLogP2.57
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine?
The IUPAC name of 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine (CID 166966215) is 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine.
What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine?
The canonical SMILES for 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine is Cn1nnc(-c2ccc(C(F)F)cn2)c1COc1ccc(-c2cn[nH]c2)nn1.
What is the InChIKey of 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine?
The InChIKey is FVRHMPFOLRWDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N8O/c1-27-14(16(25-26-27)13-3-2-10(6-20-13)17(18)19)9-28-15-5-4-12(23-24-15)11-7-21-22-8-11/h2-8,17H,9H2,1H3,(H,21,22).
What are the key properties of 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine?
3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine has a molecular weight of 384.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(difluoromethyl)-2-pyridinyl]-3-methyltriazol-4-yl]methoxy]-6-(1H-pyrazol-4-yl)pyridazine is sourced from PubChem (CID 166966215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).