2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid

C11H14N6O2 — CID 80541339

IUPAC2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cnc(-c2nnnn2CCC(C)C(=O)O)cn1
InChIInChI=1S/C11H14N6O2/c1-7(11(18)19)3-4-17-10(14-15-16-17)9-6-12-8(2)5-13-9/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyWGPSSTRURXTSCW-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.55
Rot. Bonds5

About 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid

2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid (PubChem CID 80541339) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
PubChem CID80541339
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
SMILESCc1cnc(-c2nnnn2CCC(C)C(=O)O)cn1
InChIInChI=1S/C11H14N6O2/c1-7(11(18)19)3-4-17-10(14-15-16-17)9-6-12-8(2)5-13-9/h5-7H,3-4H2,1-2H3,(H,18,19)
InChIKeyWGPSSTRURXTSCW-UHFFFAOYSA-N
XLogP0.55
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Pyrazin-2-yltetrazol-1-yl)methyl 2,2-dimethylpropanoate
CID 482256
2,2-Difluoro-4-[4-(5-fluoropyrimidin-2-yl)triazol-1-yl]butanoic acid
CID 167883483
Methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate
CID 163289760
2-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]acetic acid
CID 66008678
3-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
CID 66041407
3-(5-Pyrazin-2-yltetrazol-1-yl)propanoic acid
CID 66041607
2-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
CID 66041776
2-(5-Pyrazin-2-yltetrazol-1-yl)propanoic acid
CID 66041975
3-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
CID 66042233
3-(5-Pyrazin-2-yltetrazol-1-yl)butanoic acid
CID 66042235
2-Methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
CID 66043393
2-Methyl-2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
CID 66043594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid (CID 80541339) is 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid is Cc1cnc(-c2nnnn2CCC(C)C(=O)O)cn1.
What is the InChIKey of 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid?
The InChIKey is WGPSSTRURXTSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-7(11(18)19)3-4-17-10(14-15-16-17)9-6-12-8(2)5-13-9/h5-7H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid?
2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 80541339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).