2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid

C9H12N6O2 — CID 65226474

IUPAC2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid
SMILESCCC(CNc1cncc2nnnn12)C(=O)O
InChIInChI=1S/C9H12N6O2/c1-2-6(9(16)17)3-11-7-4-10-5-8-12-13-14-15(7)8/h4-6,11H,2-3H2,1H3,(H,16,17)
InChIKeyZJHBRZRWHKLXNV-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.04
Rot. Bonds5

About 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid

2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid (PubChem CID 65226474) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid
PubChem CID65226474
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid
SMILESCCC(CNc1cncc2nnnn12)C(=O)O
InChIInChI=1S/C9H12N6O2/c1-2-6(9(16)17)3-11-7-4-10-5-8-12-13-14-15(7)8/h4-6,11H,2-3H2,1H3,(H,16,17)
InChIKeyZJHBRZRWHKLXNV-UHFFFAOYSA-N
XLogP0.04
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid?
The IUPAC name of 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid (CID 65226474) is 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid is CCC(CNc1cncc2nnnn12)C(=O)O.
What is the InChIKey of 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid?
The InChIKey is ZJHBRZRWHKLXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-2-6(9(16)17)3-11-7-4-10-5-8-12-13-14-15(7)8/h4-6,11H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid?
2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid has a molecular weight of 236.23 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid is sourced from PubChem (CID 65226474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).