2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid

C10H12N6O2 — CID 104673065

IUPAC2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cc(-c2nnnn2C(C)C(=O)O)c(C)nn1
InChIInChI=1S/C10H12N6O2/c1-5-4-8(6(2)12-11-5)9-13-14-15-16(9)7(3)10(17)18/h4,7H,1-3H3,(H,17,18)
InChIKeyNJCDCTLQZWMNSI-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.39
Rot. Bonds3

About 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid

2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid (PubChem CID 104673065) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid
PubChem CID104673065
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid
SMILESCc1cc(-c2nnnn2C(C)C(=O)O)c(C)nn1
InChIInChI=1S/C10H12N6O2/c1-5-4-8(6(2)12-11-5)9-13-14-15-16(9)7(3)10(17)18/h4,7H,1-3H3,(H,17,18)
InChIKeyNJCDCTLQZWMNSI-UHFFFAOYSA-N
XLogP0.39
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2,3-dimethylphenyl)tetrazol-1-yl]propanoic acid
CID 66040988
2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid
CID 66041787
2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid
CID 66043180
2-[5-(3-bromo-5-chlorophenyl)tetrazol-1-yl]propanoic acid
CID 114018790
2-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]propanoic acid
CID 81262161
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 54345783
2-[5-(4-bromo-3-fluorophenyl)tetrazol-1-yl]propanoic acid
CID 66042578
2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]propanoic acid
CID 66043588
2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 66120183
2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid
CID 67906464
2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041380
2-[5-(3-methylbutan-2-yl)tetrazol-1-yl]propanoic acid
CID 66042986

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid (CID 104673065) is 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid is Cc1cc(-c2nnnn2C(C)C(=O)O)c(C)nn1.
What is the InChIKey of 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is NJCDCTLQZWMNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-5-4-8(6(2)12-11-5)9-13-14-15-16(9)7(3)10(17)18/h4,7H,1-3H3,(H,17,18).
What are the key properties of 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid?
2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 248.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 104673065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).