5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one

C10H8N6O — CID 13267898

IUPAC5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
SMILESCc1cccc2ncn(-c3nn[nH]n3)c(=O)c12
InChIInChI=1S/C10H8N6O/c1-6-3-2-4-7-8(6)9(17)16(5-11-7)10-12-14-15-13-10/h2-5H,1H3,(H,12,13,14,15)
InChIKeyNBGSWDJZVHLRDA-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.21
Rot. Bonds1

About 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one

5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one (PubChem CID 13267898) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
PubChem CID13267898
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
SMILESCc1cccc2ncn(-c3nn[nH]n3)c(=O)c12
InChIInChI=1S/C10H8N6O/c1-6-3-2-4-7-8(6)9(17)16(5-11-7)10-12-14-15-13-10/h2-5H,1H3,(H,12,13,14,15)
InChIKeyNBGSWDJZVHLRDA-UHFFFAOYSA-N
XLogP0.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The IUPAC name of 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one (CID 13267898) is 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one is Cc1cccc2ncn(-c3nn[nH]n3)c(=O)c12.
What is the InChIKey of 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The InChIKey is NBGSWDJZVHLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c1-6-3-2-4-7-8(6)9(17)16(5-11-7)10-12-14-15-13-10/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one has a molecular weight of 228.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 13267898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).