1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid

C8H7N5O2 — CID 130545395

IUPAC1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cncc3nnnn23)CC1
InChIInChI=1S/C8H7N5O2/c14-7(15)8(1-2-8)5-3-9-4-6-10-11-12-13(5)6/h3-4H,1-2H2,(H,14,15)
InChIKeyOFHINMNKWYCUKJ-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.36
Rot. Bonds2

About 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid

1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 130545395) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid
PubChem CID130545395
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cncc3nnnn23)CC1
InChIInChI=1S/C8H7N5O2/c14-7(15)8(1-2-8)5-3-9-4-6-10-11-12-13(5)6/h3-4H,1-2H2,(H,14,15)
InChIKeyOFHINMNKWYCUKJ-UHFFFAOYSA-N
XLogP-0.36
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid (CID 130545395) is 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cncc3nnnn23)CC1.
What is the InChIKey of 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is OFHINMNKWYCUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c14-7(15)8(1-2-8)5-3-9-4-6-10-11-12-13(5)6/h3-4H,1-2H2,(H,14,15).
What are the key properties of 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid?
1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 205.18 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazolo[1,5-a]pyrazin-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 130545395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).