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

C15H13ClF2N8O3 — CID 168840906

IUPACN-[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)c2ccnnc2)c1Cl
InChIInChI=1S/C15H13ClF2N8O3/c1-26-15(23-24-25-26)22-13(28)8-2-3-9(29-14(17)18)11(10(8)16)21-12(27)7-4-5-19-20-6-7/h2-6,14,24-25H,1H3,(H,21,27)(H,22,23,28)
InChIKeyQHNBQQULGAHKIC-UHFFFAOYSA-N
MW426.77 g/mol
LogP0.94
Rot. Bonds5

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

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide (PubChem CID 168840906) has the molecular formula C15H13ClF2N8O3 and a molecular weight of 426.77 g/mol. Its IUPAC name is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide
PubChem CID168840906
Molecular FormulaC15H13ClF2N8O3
Molecular Weight426.77 g/mol
Exact Mass426.08
IUPAC NameN-[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)c2ccnnc2)c1Cl
InChIInChI=1S/C15H13ClF2N8O3/c1-26-15(23-24-25-26)22-13(28)8-2-3-9(29-14(17)18)11(10(8)16)21-12(27)7-4-5-19-20-6-7/h2-6,14,24-25H,1H3,(H,21,27)(H,22,23,28)
InChIKeyQHNBQQULGAHKIC-UHFFFAOYSA-N
XLogP0.94
TPSA132.87 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.77
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 168841017
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 168840917
2-chloro-4-(difluoromethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
CID 166505074
N-[2-chloro-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 168840851
2-chloro-3-(2,2-difluoropropanoylamino)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840922
2-chloro-3-[(3,5-dichlorobenzoyl)amino]-4-(difluoromethoxy)-N-(1-methyltetrazol-5-yl)benzamide
CID 168840880
2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide
CID 166505037
2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
CID 166505022
3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840965
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168840878
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 8778786
N-(3-chloropyrazin-2-yl)pyridazine-4-carboxamide
CID 102989245

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide (CID 168840906) is N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide?
The canonical SMILES for 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)c2ccnnc2)c1Cl.
What is the InChIKey of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide?
The InChIKey is QHNBQQULGAHKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N8O3/c1-26-15(23-24-25-26)22-13(28)8-2-3-9(29-14(17)18)11(10(8)16)21-12(27)7-4-5-19-20-6-7/h2-6,14,24-25H,1H3,(H,21,27)(H,22,23,28).
What are the key properties of N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide?
N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide has a molecular weight of 426.77 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(difluoromethoxy)-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 168840906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).