N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide

C13H13N7O — CID 24650274

IUPACN,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(Nc2ccc3nnnn3n2)cc1
InChIInChI=1S/C13H13N7O/c1-19(2)13(21)9-3-5-10(6-4-9)14-11-7-8-12-15-17-18-20(12)16-11/h3-8H,1-2H3,(H,14,16)
InChIKeyUKFBTAQETCWPKW-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.96
Rot. Bonds3

About N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide

N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide (PubChem CID 24650274) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide
PubChem CID24650274
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC NameN,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(Nc2ccc3nnnn3n2)cc1
InChIInChI=1S/C13H13N7O/c1-19(2)13(21)9-3-5-10(6-4-9)14-11-7-8-12-15-17-18-20(12)16-11/h3-8H,1-2H3,(H,14,16)
InChIKeyUKFBTAQETCWPKW-UHFFFAOYSA-N
XLogP0.96
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide?
The IUPAC name of N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide (CID 24650274) is N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide?
The canonical SMILES for N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide is CN(C)C(=O)c1ccc(Nc2ccc3nnnn3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide?
The InChIKey is UKFBTAQETCWPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-19(2)13(21)9-3-5-10(6-4-9)14-11-7-8-12-15-17-18-20(12)16-11/h3-8H,1-2H3,(H,14,16).
What are the key properties of N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide?
N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide has a molecular weight of 283.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide is sourced from PubChem (CID 24650274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).