1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid

C13H15N5O2 — CID 115447213

IUPAC1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(-c2nnnn2CC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C13H15N5O2/c1-9-3-4-10(7-14-9)11-15-16-17-18(11)8-13(12(19)20)5-2-6-13/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyDNLVYOLGNYLTEH-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.30
Rot. Bonds4

About 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid

1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115447213) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
PubChem CID115447213
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(-c2nnnn2CC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C13H15N5O2/c1-9-3-4-10(7-14-9)11-15-16-17-18(11)8-13(12(19)20)5-2-6-13/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyDNLVYOLGNYLTEH-UHFFFAOYSA-N
XLogP1.30
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447137
1-[[5-(4-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312688
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102923004
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311513
1-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 104643317
1-[[5-(furan-3-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437088
1-[[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 107526438
1-[[5-(1-methylpyrazol-4-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312694
1-[[5-(3-methylfuran-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437087
1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115452027
1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447259

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid (CID 115447213) is 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid is Cc1ccc(-c2nnnn2CC2(C(=O)O)CCC2)cn1.
What is the InChIKey of 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is DNLVYOLGNYLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-3-4-10(7-14-9)11-15-16-17-18(11)8-13(12(19)20)5-2-6-13/h3-4,7H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115447213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).