3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide

C15H11Cl3F2N8O3 — CID 168840849

IUPAC3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cc(Cl)nnc2Cl)c1Cl
InChIInChI=1S/C15H11Cl3F2N8O3/c1-28-15(25-26-27-28)22-12(29)5-2-3-7(31-14(19)20)10(9(5)17)21-13(30)6-4-8(16)23-24-11(6)18/h2-4,14,26-27H,1H3,(H,21,30)(H,22,25,29)
InChIKeyMJQWHDUSEPYSIN-UHFFFAOYSA-N
MW495.66 g/mol
LogP2.25
Rot. Bonds5

About 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide

3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide (PubChem CID 168840849) has the molecular formula C15H11Cl3F2N8O3 and a molecular weight of 495.66 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide
PubChem CID168840849
Molecular FormulaC15H11Cl3F2N8O3
Molecular Weight495.66 g/mol
Exact Mass494.00
IUPAC Name3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide
SMILESCN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cc(Cl)nnc2Cl)c1Cl
InChIInChI=1S/C15H11Cl3F2N8O3/c1-28-15(25-26-27-28)22-12(29)5-2-3-7(31-14(19)20)10(9(5)17)21-13(30)6-4-8(16)23-24-11(6)18/h2-4,14,26-27H,1H3,(H,21,30)(H,22,25,29)
InChIKeyMJQWHDUSEPYSIN-UHFFFAOYSA-N
XLogP2.25
TPSA132.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.66
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide (CID 168840849) is 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide is CN1NNN=C1NC(=O)c1ccc(OC(F)F)c(NC(=O)c2cc(Cl)nnc2Cl)c1Cl.
What is the InChIKey of 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is MJQWHDUSEPYSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3F2N8O3/c1-28-15(25-26-27-28)22-12(29)5-2-3-7(31-14(19)20)10(9(5)17)21-13(30)6-4-8(16)23-24-11(6)18/h2-4,14,26-27H,1H3,(H,21,30)(H,22,25,29).
What are the key properties of 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 495.66 g/mol, XLogP of 2.25, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 168840849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).