1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one

C9H11N5O — CID 63199240

IUPAC1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one
SMILESCCCC(=O)Cc1cncc2nnnn12
InChIInChI=1S/C9H11N5O/c1-2-3-8(15)4-7-5-10-6-9-11-12-13-14(7)9/h5-6H,2-4H2,1H3
InChIKeyXLZSBQBYUNGYEX-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.43
Rot. Bonds4

About 1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one

1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one (PubChem CID 63199240) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one.

Molecular Properties

Compound Name1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one
PubChem CID63199240
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one
SMILESCCCC(=O)Cc1cncc2nnnn12
InChIInChI=1S/C9H11N5O/c1-2-3-8(15)4-7-5-10-6-9-11-12-13-14(7)9/h5-6H,2-4H2,1H3
InChIKeyXLZSBQBYUNGYEX-UHFFFAOYSA-N
XLogP0.43
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.43
H-Bond Donors ≤ 50
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)pentan-2-one?
The IUPAC name of 1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one (CID 63199240) is 1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one.
What is the SMILES notation for 1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one?
The canonical SMILES for 1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one is CCCC(=O)Cc1cncc2nnnn12.
What is the InChIKey of 1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one?
The InChIKey is XLZSBQBYUNGYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-3-8(15)4-7-5-10-6-9-11-12-13-14(7)9/h5-6H,2-4H2,1H3.
What are the key properties of 1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one?
1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one has a molecular weight of 205.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 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)pentan-2-one is sourced from PubChem (CID 63199240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).