4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid

C12H16N6O2 — CID 104673113

IUPAC4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid
SMILESCC(C)(C)C(CC(=O)O)n1nnnc1-c1ccnnc1
InChIInChI=1S/C12H16N6O2/c1-12(2,3)9(6-10(19)20)18-11(15-16-17-18)8-4-5-13-14-7-8/h4-5,7,9H,6H2,1-3H3,(H,19,20)
InChIKeyZLPAPYHZGVYTGH-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.19
Rot. Bonds4

About 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid

4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid (PubChem CID 104673113) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid
PubChem CID104673113
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid
SMILESCC(C)(C)C(CC(=O)O)n1nnnc1-c1ccnnc1
InChIInChI=1S/C12H16N6O2/c1-12(2,3)9(6-10(19)20)18-11(15-16-17-18)8-4-5-13-14-7-8/h4-5,7,9H,6H2,1-3H3,(H,19,20)
InChIKeyZLPAPYHZGVYTGH-UHFFFAOYSA-N
XLogP1.19
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(5-bromothiophen-3-yl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 107967112
3-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 104643323
4-(1-methyltetrazol-5-yl)pyridazine
CID 139534009
3-[5-(1-methoxyethyl)tetrazol-1-yl]-4,4-dimethylpentanoic acid
CID 113374865
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]butanoic acid
CID 66042627
3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 106754449
3-[5-(3,5-dimethylphenyl)tetrazol-1-yl]butanoic acid
CID 66041030
3-[5-(5-bromothiophen-3-yl)tetrazol-1-yl]-4-methylpentanoic acid
CID 107967109
3-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66042629
3-[5-(3-methylsulfonylphenyl)tetrazol-1-yl]butanoic acid
CID 66042822
3-[5-(4-chloro-3-fluorophenyl)tetrazol-1-yl]-4-methylpentanoic acid
CID 107995375
3-cyclopropyl-3-[5-(1H-pyrazol-5-yl)tetrazol-1-yl]propanoic acid
CID 82002253

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid?
The IUPAC name of 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid (CID 104673113) is 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid is CC(C)(C)C(CC(=O)O)n1nnnc1-c1ccnnc1.
What is the InChIKey of 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid?
The InChIKey is ZLPAPYHZGVYTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-12(2,3)9(6-10(19)20)18-11(15-16-17-18)8-4-5-13-14-7-8/h4-5,7,9H,6H2,1-3H3,(H,19,20).
What are the key properties of 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid?
4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid has a molecular weight of 276.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid is sourced from PubChem (CID 104673113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).