2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid

C12H12N6O2 — CID 103123576

IUPAC2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
SMILESCC(Cn1nnnc1-c1cnn2ccccc12)C(=O)O
InChIInChI=1S/C12H12N6O2/c1-8(12(19)20)7-18-11(14-15-16-18)9-6-13-17-5-3-2-4-10(9)17/h2-6,8H,7H2,1H3,(H,19,20)
InChIKeyUMIGUMUXAYRGEJ-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.71
Rot. Bonds4

About 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid

2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid (PubChem CID 103123576) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
PubChem CID103123576
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
SMILESCC(Cn1nnnc1-c1cnn2ccccc12)C(=O)O
InChIInChI=1S/C12H12N6O2/c1-8(12(19)20)7-18-11(14-15-16-18)9-6-13-17-5-3-2-4-10(9)17/h2-6,8H,7H2,1H3,(H,19,20)
InChIKeyUMIGUMUXAYRGEJ-UHFFFAOYSA-N
XLogP0.71
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123559
3-[5-(2,6-dimethyl-3-pyridinyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046506
3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81262480
3-[5-(furan-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046032
3-[5-(4-bromo-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046757
3-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046518
3-[5-(4-chlorophenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047456
3-[5-(3,4-dimethylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047221
3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66045094
3-[5-(1-benzofuran-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66047223
4-[5-(2,3-difluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541642
3-(6-methylpyridazin-3-yl)pyrazolo[1,5-a]pyridine
CID 121014681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid (CID 103123576) is 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid is CC(Cn1nnnc1-c1cnn2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid?
The InChIKey is UMIGUMUXAYRGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-8(12(19)20)7-18-11(14-15-16-18)9-6-13-17-5-3-2-4-10(9)17/h2-6,8H,7H2,1H3,(H,19,20).
What are the key properties of 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid?
2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid has a molecular weight of 272.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 103123576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).