7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one

C10H6N6O3 — CID 13267906

IUPAC7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILESO=c1c2cc3c(cc2ncn1-c1nn[nH]n1)OCO3
InChIInChI=1S/C10H6N6O3/c17-9-5-1-7-8(19-4-18-7)2-6(5)11-3-16(9)10-12-14-15-13-10/h1-3H,4H2,(H,12,13,14,15)
InChIKeyWZWQGEYKGVARIQ-UHFFFAOYSA-N
MW258.20 g/mol
LogP-0.37
Rot. Bonds1

About 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one

7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one (PubChem CID 13267906) has the molecular formula C10H6N6O3 and a molecular weight of 258.20 g/mol. Its IUPAC name is 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one
PubChem CID13267906
Molecular FormulaC10H6N6O3
Molecular Weight258.20 g/mol
Exact Mass258.05
IUPAC Name7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one
SMILESO=c1c2cc3c(cc2ncn1-c1nn[nH]n1)OCO3
InChIInChI=1S/C10H6N6O3/c17-9-5-1-7-8(19-4-18-7)2-6(5)11-3-16(9)10-12-14-15-13-10/h1-3H,4H2,(H,12,13,14,15)
InChIKeyWZWQGEYKGVARIQ-UHFFFAOYSA-N
XLogP-0.37
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The IUPAC name of 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one (CID 13267906) is 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The canonical SMILES for 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one is O=c1c2cc3c(cc2ncn1-c1nn[nH]n1)OCO3.
What is the InChIKey of 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one?
The InChIKey is WZWQGEYKGVARIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O3/c17-9-5-1-7-8(19-4-18-7)2-6(5)11-3-16(9)10-12-14-15-13-10/h1-3H,4H2,(H,12,13,14,15).
What are the key properties of 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one?
7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one has a molecular weight of 258.20 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2H-tetrazol-5-yl)-[1,3]dioxolo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 13267906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).