N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide

C12H10ClN7O — CID 26043805

IUPACN-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc3nnnn3n2)cc1Cl
InChIInChI=1S/C12H10ClN7O/c1-7(21)14-10-3-2-8(6-9(10)13)15-11-4-5-12-16-18-19-20(12)17-11/h2-6H,1H3,(H,14,21)(H,15,17)
InChIKeyDUMZCVTYIXXMNR-UHFFFAOYSA-N
MW303.71 g/mol
LogP1.87
Rot. Bonds3

About N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide

N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide (PubChem CID 26043805) has the molecular formula C12H10ClN7O and a molecular weight of 303.71 g/mol. Its IUPAC name is N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
PubChem CID26043805
Molecular FormulaC12H10ClN7O
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC NameN-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc3nnnn3n2)cc1Cl
InChIInChI=1S/C12H10ClN7O/c1-7(21)14-10-3-2-8(6-9(10)13)15-11-4-5-12-16-18-19-20(12)17-11/h2-6H,1H3,(H,14,21)(H,15,17)
InChIKeyDUMZCVTYIXXMNR-UHFFFAOYSA-N
XLogP1.87
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine
CID 52787476
N-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide
CID 133277110
N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide
CID 24650274
N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47072366
1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine
CID 25336540
1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one
CID 154759176
N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17488067
N-[2-chloro-4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 115743018
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
4-acetamido-3-chlorobenzoate
CID 6920708

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide (CID 26043805) is N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccc3nnnn3n2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide?
The InChIKey is DUMZCVTYIXXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN7O/c1-7(21)14-10-3-2-8(6-9(10)13)15-11-4-5-12-16-18-19-20(12)17-11/h2-6H,1H3,(H,14,21)(H,15,17).
What are the key properties of N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide?
N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide has a molecular weight of 303.71 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]acetamide is sourced from PubChem (CID 26043805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).