1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one

C19H19F2N7O2 — CID 167438839

IUPAC1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN(C)C2=O)nn1
InChIInChI=1S/C19H19F2N7O2/c1-12-15(28(25-22-12)14-5-3-13(4-6-14)18(20)21)11-30-17-8-7-16(23-24-17)27-10-9-26(2)19(27)29/h3-8,18H,9-11H2,1-2H3
InChIKeyDUUKVMKDBTYKFQ-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.75
Rot. Bonds6

About 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one

1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one (PubChem CID 167438839) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one
PubChem CID167438839
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC Name1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one
SMILESCc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN(C)C2=O)nn1
InChIInChI=1S/C19H19F2N7O2/c1-12-15(28(25-22-12)14-5-3-13(4-6-14)18(20)21)11-30-17-8-7-16(23-24-17)27-10-9-26(2)19(27)29/h3-8,18H,9-11H2,1-2H3
InChIKeyDUUKVMKDBTYKFQ-UHFFFAOYSA-N
XLogP2.75
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one (CID 167438839) is 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one is Cc1nnn(-c2ccc(C(F)F)cc2)c1COc1ccc(N2CCN(C)C2=O)nn1.
What is the InChIKey of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one?
The InChIKey is DUUKVMKDBTYKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c1-12-15(28(25-22-12)14-5-3-13(4-6-14)18(20)21)11-30-17-8-7-16(23-24-17)27-10-9-26(2)19(27)29/h3-8,18H,9-11H2,1-2H3.
What are the key properties of 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one?
1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one has a molecular weight of 415.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-[4-(difluoromethyl)phenyl]-5-methyltriazol-4-yl]methoxy]pyridazin-3-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 167438839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).