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

C12H13N5O2 — CID 115452027

IUPAC1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cccnc1-c1nnnn1CC1(C(=O)O)CC1
InChIInChI=1S/C12H13N5O2/c1-8-3-2-6-13-9(8)10-14-15-16-17(10)7-12(4-5-12)11(18)19/h2-3,6H,4-5,7H2,1H3,(H,18,19)
InChIKeyOWZQADQSSUEFDL-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.91
Rot. Bonds4

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

1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115452027) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID115452027
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cccnc1-c1nnnn1CC1(C(=O)O)CC1
InChIInChI=1S/C12H13N5O2/c1-8-3-2-6-13-9(8)10-14-15-16-17(10)7-12(4-5-12)11(18)19/h2-3,6H,4-5,7H2,1H3,(H,18,19)
InChIKeyOWZQADQSSUEFDL-UHFFFAOYSA-N
XLogP0.91
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 107526438
1-[[5-(4-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312688
1-[[5-(2-methoxyphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115451936
1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447213
1-[[5-(2-methylfuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312649
1-[[5-(2-methoxy-5-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 115452033
4-[(5-phenyltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440727
1-[[5-(1-methylpyrazol-4-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312694
1-[[5-(2-chlorofuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 106690601
1-[[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447137
1-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311513
1-[[5-(3-methylfuran-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437087

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 115452027) is 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is Cc1cccnc1-c1nnnn1CC1(C(=O)O)CC1.
What is the InChIKey of 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is OWZQADQSSUEFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8-3-2-6-13-9(8)10-14-15-16-17(10)7-12(4-5-12)11(18)19/h2-3,6H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methyl-2-pyridinyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115452027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).