4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one

C7H8BrN7O — CID 115624220

IUPAC4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
SMILESCn1ncc(NCc2nn[nH]n2)c(Br)c1=O
InChIInChI=1S/C7H8BrN7O/c1-15-7(16)6(8)4(2-10-15)9-3-5-11-13-14-12-5/h2,9H,3H2,1H3,(H,11,12,13,14)
InChIKeyIAKZXHAXJMXOMV-UHFFFAOYSA-N
MW286.09 g/mol
LogP-0.33
Rot. Bonds3

About 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one

4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one (PubChem CID 115624220) has the molecular formula C7H8BrN7O and a molecular weight of 286.09 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
PubChem CID115624220
Molecular FormulaC7H8BrN7O
Molecular Weight286.09 g/mol
Exact Mass285.00
IUPAC Name4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
SMILESCn1ncc(NCc2nn[nH]n2)c(Br)c1=O
InChIInChI=1S/C7H8BrN7O/c1-15-7(16)6(8)4(2-10-15)9-3-5-11-13-14-12-5/h2,9H,3H2,1H3,(H,11,12,13,14)
InChIKeyIAKZXHAXJMXOMV-UHFFFAOYSA-N
XLogP-0.33
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115621009
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 113243855
4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 84583923
4-bromo-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one
CID 114694720
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
4-bromo-2-methyl-5-[(4-methylthiophen-3-yl)methylamino]pyridazin-3-one
CID 114440266
4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235057
4-bromo-2-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]pyridazin-3-one
CID 133303288
4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 115624005
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
CID 114443868
4-bromo-2-methyl-5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 133303303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one (CID 115624220) is 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one is Cn1ncc(NCc2nn[nH]n2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The InChIKey is IAKZXHAXJMXOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN7O/c1-15-7(16)6(8)4(2-10-15)9-3-5-11-13-14-12-5/h2,9H,3H2,1H3,(H,11,12,13,14).
What are the key properties of 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one has a molecular weight of 286.09 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 115624220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).