1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid

C12H16N6O2 — CID 107976010

IUPAC1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
SMILESCn1cnc(-c2nnnn2CC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C12H16N6O2/c1-17-6-9(13-8-17)10-14-15-16-18(10)7-12(11(19)20)4-2-3-5-12/h6,8H,2-5,7H2,1H3,(H,19,20)
InChIKeyODVAHOUTXCCHAD-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.72
Rot. Bonds4

About 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid

1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 107976010) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
PubChem CID107976010
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
SMILESCn1cnc(-c2nnnn2CC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C12H16N6O2/c1-17-6-9(13-8-17)10-14-15-16-18(10)7-12(11(19)20)4-2-3-5-12/h6,8H,2-5,7H2,1H3,(H,19,20)
InChIKeyODVAHOUTXCCHAD-UHFFFAOYSA-N
XLogP0.72
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(1-methylimidazol-4-yl)tetrazol-1-yl]propanoic acid
CID 107975976
1-[[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447137
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102923004
1-[[5-(thiadiazol-4-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311520
1-[[5-(3-methylfuran-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437087
1-[[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 104643317
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(1-methylpyrazol-4-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312694
1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447213
1-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311513
1-[[5-(3-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437204
1-[[5-(4-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312688

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid (CID 107976010) is 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid is Cn1cnc(-c2nnnn2CC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ODVAHOUTXCCHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-17-6-9(13-8-17)10-14-15-16-18(10)7-12(11(19)20)4-2-3-5-12/h6,8H,2-5,7H2,1H3,(H,19,20).
What are the key properties of 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid?
1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107976010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).