4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid

C11H17N7O2 — CID 107475006

IUPAC4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1-c1cn[nH]n1)C(=O)O
InChIInChI=1S/C11H17N7O2/c1-11(2,3)4-7(10(19)20)6-18-9(14-16-17-18)8-5-12-15-13-8/h5,7H,4,6H2,1-3H3,(H,19,20)(H,12,13,15)
InChIKeyRHOZJSQIICKRNE-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.60
Rot. Bonds5

About 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid

4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 107475006) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID107475006
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCC(C)(C)CC(Cn1nnnc1-c1cn[nH]n1)C(=O)O
InChIInChI=1S/C11H17N7O2/c1-11(2,3)4-7(10(19)20)6-18-9(14-16-17-18)8-5-12-15-13-8/h5,7H,4,6H2,1-3H3,(H,19,20)(H,12,13,15)
InChIKeyRHOZJSQIICKRNE-UHFFFAOYSA-N
XLogP0.60
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid with MolForge

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Related Compounds

4,4-dimethyl-2-[[5-(1H-pyrazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475114
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475215
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
CID 107474996
4,4-dimethyl-2-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475123
2-[[5-(furan-3-yl)tetrazol-1-yl]methyl]-4,4-dimethylpentanoic acid
CID 107475162
4,4-dimethyl-2-[[5-(4-methylthiadiazol-5-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475063
2-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104643311
4-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
CID 115440730
4,4-dimethyl-2-[[5-(2-methylcyclopentyl)tetrazol-1-yl]methyl]pentanoic acid
CID 107474963
4,4-dimethyl-2-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]pentanoic acid
CID 107475072
2-[[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]methyl]-4-methylpentanoic acid
CID 104786748

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid (CID 107475006) is 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid is CC(C)(C)CC(Cn1nnnc1-c1cn[nH]n1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is RHOZJSQIICKRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-11(2,3)4-7(10(19)20)6-18-9(14-16-17-18)8-5-12-15-13-8/h5,7H,4,6H2,1-3H3,(H,19,20)(H,12,13,15).
What are the key properties of 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid?
4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 279.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[5-(2H-triazol-4-yl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 107475006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).