N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C18H14F3N7O — CID 136611750

IUPACN-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc2ccc(-c3ccccc3C(F)(F)F)nn2c1C(=O)NC1=CNNC=N1
InChIInChI=1S/C18H14F3N7O/c1-10-16(17(29)26-14-8-23-24-9-22-14)28-15(25-10)7-6-13(27-28)11-4-2-3-5-12(11)18(19,20)21/h2-9,23H,1H3,(H,22,24)(H,26,29)
InChIKeyQZJYFHDVTHAUMB-UHFFFAOYSA-N
MW401.35 g/mol
LogP2.39
Rot. Bonds3

About N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 136611750) has the molecular formula C18H14F3N7O and a molecular weight of 401.35 g/mol. Its IUPAC name is N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID136611750
Molecular FormulaC18H14F3N7O
Molecular Weight401.35 g/mol
Exact Mass401.12
IUPAC NameN-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc2ccc(-c3ccccc3C(F)(F)F)nn2c1C(=O)NC1=CNNC=N1
InChIInChI=1S/C18H14F3N7O/c1-10-16(17(29)26-14-8-23-24-9-22-14)28-15(25-10)7-6-13(27-28)11-4-2-3-5-12(11)18(19,20)21/h2-9,23H,1H3,(H,22,24)(H,26,29)
InChIKeyQZJYFHDVTHAUMB-UHFFFAOYSA-N
XLogP2.39
TPSA95.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 136611750) is N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1nc2ccc(-c3ccccc3C(F)(F)F)nn2c1C(=O)NC1=CNNC=N1.
What is the InChIKey of N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QZJYFHDVTHAUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7O/c1-10-16(17(29)26-14-8-23-24-9-22-14)28-15(25-10)7-6-13(27-28)11-4-2-3-5-12(11)18(19,20)21/h2-9,23H,1H3,(H,22,24)(H,26,29).
What are the key properties of N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 136611750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).