N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide

C13H13N7O — CID 133277110

IUPACN-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2ccc3nnnn3n2)cc1
InChIInChI=1S/C13H13N7O/c1-9(21)19(2)11-5-3-10(4-6-11)14-12-7-8-13-15-17-18-20(13)16-12/h3-8H,1-2H3,(H,14,16)
InChIKeyIRQKTNXKOVRCRV-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide

N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide (PubChem CID 133277110) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
PubChem CID133277110
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC NameN-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2ccc3nnnn3n2)cc1
InChIInChI=1S/C13H13N7O/c1-9(21)19(2)11-5-3-10(4-6-11)14-12-7-8-13-15-17-18-20(13)16-12/h3-8H,1-2H3,(H,14,16)
InChIKeyIRQKTNXKOVRCRV-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide
CID 24650274
N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
CID 26043805
N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
CID 112727895
N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17488067
N-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]-N-methylacetamide
CID 47464161
(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 40843444
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 71874399
2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
CID 113334685
N-(2,2,3,3-tetramethylcyclopropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 79566525
N-methyl-N-[4-(phenylcarbamothioylamino)phenyl]acetamide
CID 870312
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide (CID 133277110) is N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide is CC(=O)N(C)c1ccc(Nc2ccc3nnnn3n2)cc1.
What is the InChIKey of N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide?
The InChIKey is IRQKTNXKOVRCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-9(21)19(2)11-5-3-10(4-6-11)14-12-7-8-13-15-17-18-20(13)16-12/h3-8H,1-2H3,(H,14,16).
What are the key properties of N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide?
N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide has a molecular weight of 283.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide is sourced from PubChem (CID 133277110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).