2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid

C12H15N5O2 — CID 80541240

IUPAC2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
SMILESCc1ccc(-c2nnnn2CCC(C)C(=O)O)cn1
InChIInChI=1S/C12H15N5O2/c1-8(12(18)19)5-6-17-11(14-15-16-17)10-4-3-9(2)13-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)
InChIKeyUSSSZKRIPZLZFR-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.15
Rot. Bonds5

About 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid

2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid (PubChem CID 80541240) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
PubChem CID80541240
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
SMILESCc1ccc(-c2nnnn2CCC(C)C(=O)O)cn1
InChIInChI=1S/C12H15N5O2/c1-8(12(18)19)5-6-17-11(14-15-16-17)10-4-3-9(2)13-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)
InChIKeyUSSSZKRIPZLZFR-UHFFFAOYSA-N
XLogP1.15
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid (CID 80541240) is 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid is Cc1ccc(-c2nnnn2CCC(C)C(=O)O)cn1.
What is the InChIKey of 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid?
The InChIKey is USSSZKRIPZLZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8(12(18)19)5-6-17-11(14-15-16-17)10-4-3-9(2)13-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid?
2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid has a molecular weight of 261.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 80541240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).