3-(2-methyltetrazol-5-yl)quinazolin-4-one

C10H8N6O — CID 14022304

IUPAC3-(2-methyltetrazol-5-yl)quinazolin-4-one
SMILESCn1nnc(-n2cnc3ccccc3c2=O)n1
InChIInChI=1S/C10H8N6O/c1-15-13-10(12-14-15)16-6-11-8-5-3-2-4-7(8)9(16)17/h2-6H,1H3
InChIKeyXSMZDPOFGFNSHP-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.09
Rot. Bonds1

About 3-(2-methyltetrazol-5-yl)quinazolin-4-one

3-(2-methyltetrazol-5-yl)quinazolin-4-one (PubChem CID 14022304) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-(2-methyltetrazol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methyltetrazol-5-yl)quinazolin-4-one
PubChem CID14022304
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name3-(2-methyltetrazol-5-yl)quinazolin-4-one
SMILESCn1nnc(-n2cnc3ccccc3c2=O)n1
InChIInChI=1S/C10H8N6O/c1-15-13-10(12-14-15)16-6-11-8-5-3-2-4-7(8)9(16)17/h2-6H,1H3
InChIKeyXSMZDPOFGFNSHP-UHFFFAOYSA-N
XLogP-0.09
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
3-thiophen-2-ylquinazolin-4-one
CID 14492504
3-phthalazin-1-ylquinazolin-4-one
CID 91403899
3-propylquinazolin-4-one
CID 529124
3-(1,3-thiazol-2-yl)quinazolin-4-one
CID 102030654
3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
CID 118168715
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421
4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
CID 683491
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyltetrazol-5-yl)quinazolin-4-one?
The IUPAC name of 3-(2-methyltetrazol-5-yl)quinazolin-4-one (CID 14022304) is 3-(2-methyltetrazol-5-yl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methyltetrazol-5-yl)quinazolin-4-one?
The canonical SMILES for 3-(2-methyltetrazol-5-yl)quinazolin-4-one is Cn1nnc(-n2cnc3ccccc3c2=O)n1.
What is the InChIKey of 3-(2-methyltetrazol-5-yl)quinazolin-4-one?
The InChIKey is XSMZDPOFGFNSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c1-15-13-10(12-14-15)16-6-11-8-5-3-2-4-7(8)9(16)17/h2-6H,1H3.
What are the key properties of 3-(2-methyltetrazol-5-yl)quinazolin-4-one?
3-(2-methyltetrazol-5-yl)quinazolin-4-one has a molecular weight of 228.22 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyltetrazol-5-yl)quinazolin-4-one is sourced from PubChem (CID 14022304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).