1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid

C12H14N6O2 — CID 102923004

IUPAC1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2-c2cncnc2)CCCC1
InChIInChI=1S/C12H14N6O2/c19-11(20)12(3-1-2-4-12)7-18-10(15-16-17-18)9-5-13-8-14-6-9/h5-6,8H,1-4,7H2,(H,19,20)
InChIKeyRUTFRYFENYINCT-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.78
Rot. Bonds4

About 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid

1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 102923004) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID102923004
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2-c2cncnc2)CCCC1
InChIInChI=1S/C12H14N6O2/c19-11(20)12(3-1-2-4-12)7-18-10(15-16-17-18)9-5-13-8-14-6-9/h5-6,8H,1-4,7H2,(H,19,20)
InChIKeyRUTFRYFENYINCT-UHFFFAOYSA-N
XLogP0.78
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 102923005
1-[[5-(furan-3-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437088
1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447213
1-[[5-(4-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312688
1-[[5-(1-methylpyrazol-4-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312694
1-[[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447137
1-[[5-(3-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437204
1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434677
1-[[5-(2-chlorophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434568
4-[(5-phenyltetrazol-1-yl)methyl]oxane-4-carboxylic acid
CID 115440727
1-[[5-(1-methylimidazol-4-yl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 107976010
1-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311513

Frequently Asked Questions

What is the IUPAC name of 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid (CID 102923004) is 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2-c2cncnc2)CCCC1.
What is the InChIKey of 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is RUTFRYFENYINCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c19-11(20)12(3-1-2-4-12)7-18-10(15-16-17-18)9-5-13-8-14-6-9/h5-6,8H,1-4,7H2,(H,19,20).
What are the key properties of 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 102923004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).