2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid

C11H14N6O2 — CID 62690088

IUPAC2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2cncc3nnnn23)C1
InChIInChI=1S/C11H14N6O2/c18-11(19)4-8-2-1-3-16(7-8)10-6-12-5-9-13-14-15-17(9)10/h5-6,8H,1-4,7H2,(H,18,19)
InChIKeyLAINNNCUHMJCNR-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.21
Rot. Bonds3

About 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid

2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid (PubChem CID 62690088) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid
PubChem CID62690088
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2cncc3nnnn23)C1
InChIInChI=1S/C11H14N6O2/c18-11(19)4-8-2-1-3-16(7-8)10-6-12-5-9-13-14-15-17(9)10/h5-6,8H,1-4,7H2,(H,18,19)
InChIKeyLAINNNCUHMJCNR-UHFFFAOYSA-N
XLogP0.21
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid (CID 62690088) is 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(c2cncc3nnnn23)C1.
What is the InChIKey of 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid?
The InChIKey is LAINNNCUHMJCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c18-11(19)4-8-2-1-3-16(7-8)10-6-12-5-9-13-14-15-17(9)10/h5-6,8H,1-4,7H2,(H,18,19).
What are the key properties of 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid?
2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid has a molecular weight of 262.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).