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

C10H8N6O — CID 13267899

IUPAC6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
SMILESCc1ccc2ncn(-c3nn[nH]n3)c(=O)c2c1
InChIInChI=1S/C10H8N6O/c1-6-2-3-8-7(4-6)9(17)16(5-11-8)10-12-14-15-13-10/h2-5H,1H3,(H,12,13,14,15)
InChIKeyIVHOITKIJUJZKA-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.21
Rot. Bonds1

About 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one

6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one (PubChem CID 13267899) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
PubChem CID13267899
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
SMILESCc1ccc2ncn(-c3nn[nH]n3)c(=O)c2c1
InChIInChI=1S/C10H8N6O/c1-6-2-3-8-7(4-6)9(17)16(5-11-8)10-12-14-15-13-10/h2-5H,1H3,(H,12,13,14,15)
InChIKeyIVHOITKIJUJZKA-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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Related Compounds

2-Hydrazinyl-3-methyl-3,4-dihydroquinazolin-4-one
CID 376484
6-Methylquinazolin-4-ol
CID 135452442
3-ethyl-2-hydrazinoquinazolin-4(3H)-one
CID 4962014
11H-Pyrido(2,1-b)quinazolin-11-one, 2-(1-methylethyl)-8-(1H-tetrazol-5-yl)-
CID 13241180
3-(2H-Tetrazol-5-yl)-4(3H)-quinazolinone
CID 63304
2-amino-N-(1H-tetrazol-5-yl)benzamide
CID 13267895
5-methyl-3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone
CID 13267898
8-methyl-3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone
CID 13267900
6-chloro-3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone
CID 13267901
2-methyl-3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone
CID 13267903
2-phenyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
CID 13267904
2-ethyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
CID 13676793

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The IUPAC name of 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one (CID 13267899) is 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one is Cc1ccc2ncn(-c3nn[nH]n3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
The InChIKey is IVHOITKIJUJZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c1-6-2-3-8-7(4-6)9(17)16(5-11-8)10-12-14-15-13-10/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one?
6-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 6-methyl-3-(2H-tetrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 13267899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).