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

C7H8ClN7O — CID 115621009

IUPAC4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
SMILESCn1ncc(NCc2nn[nH]n2)c(Cl)c1=O
InChIInChI=1S/C7H8ClN7O/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)
InChIKeyWESFQQPAKJVAOZ-UHFFFAOYSA-N
MW241.64 g/mol
LogP-0.44
Rot. Bonds3

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

4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one (PubChem CID 115621009) has the molecular formula C7H8ClN7O and a molecular weight of 241.64 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
PubChem CID115621009
Molecular FormulaC7H8ClN7O
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
SMILESCn1ncc(NCc2nn[nH]n2)c(Cl)c1=O
InChIInChI=1S/C7H8ClN7O/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)
InChIKeyWESFQQPAKJVAOZ-UHFFFAOYSA-N
XLogP-0.44
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115624220
4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436460
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-methylpyridazin-3-one
CID 114444517
4-[[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382261
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719
4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
CID 104576609
4-chloro-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 113222227
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314
4-chloro-5-[(2-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 33286975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one (CID 115621009) is 4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one is Cn1ncc(NCc2nn[nH]n2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
The InChIKey is WESFQQPAKJVAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN7O/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-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one has a molecular weight of 241.64 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 115621009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).