4-phenyltetrazolo[1,5-a]quinazolin-5-one

C14H9N5O — CID 650278

IUPAC4-phenyltetrazolo[1,5-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2nnnc2n1-c1ccccc1
InChIInChI=1S/C14H9N5O/c20-13-11-8-4-5-9-12(11)19-14(15-16-17-19)18(13)10-6-2-1-3-7-10/h1-9H
InChIKeyYWMYPHKPLPXXJQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.43
Rot. Bonds1

About 4-phenyltetrazolo[1,5-a]quinazolin-5-one

4-phenyltetrazolo[1,5-a]quinazolin-5-one (PubChem CID 650278) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-phenyltetrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-phenyltetrazolo[1,5-a]quinazolin-5-one
PubChem CID650278
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC Name4-phenyltetrazolo[1,5-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2nnnc2n1-c1ccccc1
InChIInChI=1S/C14H9N5O/c20-13-11-8-4-5-9-12(11)19-14(15-16-17-19)18(13)10-6-2-1-3-7-10/h1-9H
InChIKeyYWMYPHKPLPXXJQ-UHFFFAOYSA-N
XLogP1.43
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyltetrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-phenyltetrazolo[1,5-a]quinazolin-5-one (CID 650278) is 4-phenyltetrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-phenyltetrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-phenyltetrazolo[1,5-a]quinazolin-5-one is O=c1c2ccccc2n2nnnc2n1-c1ccccc1.
What is the InChIKey of 4-phenyltetrazolo[1,5-a]quinazolin-5-one?
The InChIKey is YWMYPHKPLPXXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c20-13-11-8-4-5-9-12(11)19-14(15-16-17-19)18(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 4-phenyltetrazolo[1,5-a]quinazolin-5-one?
4-phenyltetrazolo[1,5-a]quinazolin-5-one has a molecular weight of 263.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyltetrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 650278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).