1-(5-phenyltetrazol-2-yl)propan-2-one

C10H10N4O — CID 764065

IUPAC1-(5-phenyltetrazol-2-yl)propan-2-one
SMILESCC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O/c1-8(15)7-14-12-10(11-13-14)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyPTIBICUPUMCMCG-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.93
Rot. Bonds3

About 1-(5-phenyltetrazol-2-yl)propan-2-one

1-(5-phenyltetrazol-2-yl)propan-2-one (PubChem CID 764065) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-(5-phenyltetrazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-phenyltetrazol-2-yl)propan-2-one
PubChem CID764065
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-(5-phenyltetrazol-2-yl)propan-2-one
SMILESCC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O/c1-8(15)7-14-12-10(11-13-14)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyPTIBICUPUMCMCG-UHFFFAOYSA-N
XLogP0.93
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyltetrazol-2-yl)propan-2-one?
The IUPAC name of 1-(5-phenyltetrazol-2-yl)propan-2-one (CID 764065) is 1-(5-phenyltetrazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-phenyltetrazol-2-yl)propan-2-one?
The canonical SMILES for 1-(5-phenyltetrazol-2-yl)propan-2-one is CC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-(5-phenyltetrazol-2-yl)propan-2-one?
The InChIKey is PTIBICUPUMCMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-8(15)7-14-12-10(11-13-14)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 1-(5-phenyltetrazol-2-yl)propan-2-one?
1-(5-phenyltetrazol-2-yl)propan-2-one has a molecular weight of 202.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyltetrazol-2-yl)propan-2-one is sourced from PubChem (CID 764065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).