2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid

C12H15N5O2 — CID 79788961

IUPAC2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid
SMILESCCC(C)(C(=O)O)n1nnnc1-c1ncccc1C
InChIInChI=1S/C12H15N5O2/c1-4-12(3,11(18)19)17-10(14-15-16-17)9-8(2)6-5-7-13-9/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyOJEIVRUXPGDXJI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds4

About 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid

2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid (PubChem CID 79788961) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid
PubChem CID79788961
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid
SMILESCCC(C)(C(=O)O)n1nnnc1-c1ncccc1C
InChIInChI=1S/C12H15N5O2/c1-4-12(3,11(18)19)17-10(14-15-16-17)9-8(2)6-5-7-13-9/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyOJEIVRUXPGDXJI-UHFFFAOYSA-N
XLogP1.25
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid (CID 79788961) is 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid is CCC(C)(C(=O)O)n1nnnc1-c1ncccc1C.
What is the InChIKey of 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid?
The InChIKey is OJEIVRUXPGDXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-4-12(3,11(18)19)17-10(14-15-16-17)9-8(2)6-5-7-13-9/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid?
2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 79788961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).