(5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline

C15H12BrN5 — CID 164629463

IUPAC(5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline
SMILESC[C@]1(c2ccc(Br)cc2)Nc2ccccc2-c2nnnn21
InChIInChI=1S/C15H12BrN5/c1-15(10-6-8-11(16)9-7-10)17-13-5-3-2-4-12(13)14-18-19-20-21(14)15/h2-9,17H,1H3/t15-/m0/s1
InChIKeyCVGDFGOWVUIUFZ-HNNXBMFYSA-N
MW342.20 g/mol
LogP3.25
Rot. Bonds1

About (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline

(5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline (PubChem CID 164629463) has the molecular formula C15H12BrN5 and a molecular weight of 342.20 g/mol. Its IUPAC name is (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name(5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline
PubChem CID164629463
Molecular FormulaC15H12BrN5
Molecular Weight342.20 g/mol
Exact Mass341.03
IUPAC Name(5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline
SMILESC[C@]1(c2ccc(Br)cc2)Nc2ccccc2-c2nnnn21
InChIInChI=1S/C15H12BrN5/c1-15(10-6-8-11(16)9-7-10)17-13-5-3-2-4-12(13)14-18-19-20-21(14)15/h2-9,17H,1H3/t15-/m0/s1
InChIKeyCVGDFGOWVUIUFZ-HNNXBMFYSA-N
XLogP3.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline?
The IUPAC name of (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline (CID 164629463) is (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline.
What is the SMILES notation for (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline?
The canonical SMILES for (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline is C[C@]1(c2ccc(Br)cc2)Nc2ccccc2-c2nnnn21.
What is the InChIKey of (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline?
The InChIKey is CVGDFGOWVUIUFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12BrN5/c1-15(10-6-8-11(16)9-7-10)17-13-5-3-2-4-12(13)14-18-19-20-21(14)15/h2-9,17H,1H3/t15-/m0/s1.
What are the key properties of (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline?
(5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline has a molecular weight of 342.20 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-bromophenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline is sourced from PubChem (CID 164629463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).