1-cyclopentyltetrazole-5-carboxylic acid

C7H10N4O2 — CID 83875985

IUPAC1-cyclopentyltetrazole-5-carboxylic acid
SMILESO=C(O)c1nnnn1C1CCCC1
InChIInChI=1S/C7H10N4O2/c12-7(13)6-8-9-10-11(6)5-3-1-2-4-5/h5H,1-4H2,(H,12,13)
InChIKeyPCRLDDNATWIFMD-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.49
Rot. Bonds2

About 1-cyclopentyltetrazole-5-carboxylic acid

1-cyclopentyltetrazole-5-carboxylic acid (PubChem CID 83875985) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-cyclopentyltetrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyltetrazole-5-carboxylic acid
PubChem CID83875985
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name1-cyclopentyltetrazole-5-carboxylic acid
SMILESO=C(O)c1nnnn1C1CCCC1
InChIInChI=1S/C7H10N4O2/c12-7(13)6-8-9-10-11(6)5-3-1-2-4-5/h5H,1-4H2,(H,12,13)
InChIKeyPCRLDDNATWIFMD-UHFFFAOYSA-N
XLogP0.49
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyltetrazole-5-carbaldehyde
CID 83873473
2-(1-cyclopentyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylic acid
CID 55180519
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
ethyl 1-(4-methylcyclohexyl)tetrazole-5-carboxylate
CID 79318019
1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid
CID 62054360
1-cyclopentyl-5-(difluoromethyl)triazole-4-carboxylic acid
CID 102644673
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
ethyl 1-(4-ethylcyclohexyl)tetrazole-5-carboxylate
CID 79318241
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
1-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]piperidin-4-one
CID 43426130
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyltetrazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyltetrazole-5-carboxylic acid (CID 83875985) is 1-cyclopentyltetrazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyltetrazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyltetrazole-5-carboxylic acid is O=C(O)c1nnnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyltetrazole-5-carboxylic acid?
The InChIKey is PCRLDDNATWIFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(13)6-8-9-10-11(6)5-3-1-2-4-5/h5H,1-4H2,(H,12,13).
What are the key properties of 1-cyclopentyltetrazole-5-carboxylic acid?
1-cyclopentyltetrazole-5-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyltetrazole-5-carboxylic acid is sourced from PubChem (CID 83875985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).