4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine

C20H20F2N8O — CID 166966214

IUPAC4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2ccc(OCC3C(C)N=NN3c3ccc(C(F)F)cn3)nn2)ccn1
InChIInChI=1S/C20H20F2N8O/c1-12-16(30(29-26-12)18-5-3-14(10-25-18)20(21)22)11-31-19-6-4-15(27-28-19)13-7-8-24-17(9-13)23-2/h3-10,12,16,20H,11H2,1-2H3,(H,23,24)
InChIKeyMYRBEORJRCQADM-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.94
Rot. Bonds7

About 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine

4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine (PubChem CID 166966214) has the molecular formula C20H20F2N8O and a molecular weight of 426.43 g/mol. Its IUPAC name is 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine
PubChem CID166966214
Molecular FormulaC20H20F2N8O
Molecular Weight426.43 g/mol
Exact Mass426.17
IUPAC Name4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2ccc(OCC3C(C)N=NN3c3ccc(C(F)F)cn3)nn2)ccn1
InChIInChI=1S/C20H20F2N8O/c1-12-16(30(29-26-12)18-5-3-14(10-25-18)20(21)22)11-31-19-6-4-15(27-28-19)13-7-8-24-17(9-13)23-2/h3-10,12,16,20H,11H2,1-2H3,(H,23,24)
InChIKeyMYRBEORJRCQADM-UHFFFAOYSA-N
XLogP3.94
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine (CID 166966214) is 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine is CNc1cc(-c2ccc(OCC3C(C)N=NN3c3ccc(C(F)F)cn3)nn2)ccn1.
What is the InChIKey of 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine?
The InChIKey is MYRBEORJRCQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N8O/c1-12-16(30(29-26-12)18-5-3-14(10-25-18)20(21)22)11-31-19-6-4-15(27-28-19)13-7-8-24-17(9-13)23-2/h3-10,12,16,20H,11H2,1-2H3,(H,23,24).
What are the key properties of 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine?
4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine has a molecular weight of 426.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[3-[5-(difluoromethyl)-2-pyridinyl]-5-methyl-4,5-dihydrotriazol-4-yl]methoxy]pyridazin-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 166966214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).