3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline

C15H12BrN5 — CID 56589787

IUPAC3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline
SMILESCc1cccc2c1N=C1N(C2)N=NN1c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN5/c1-10-3-2-4-11-9-20-15(17-14(10)11)21(19-18-20)13-7-5-12(16)6-8-13/h2-8H,9H2,1H3
InChIKeyZVPPWXRUPOVMRC-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.36
Rot. Bonds1

About 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline

3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline (PubChem CID 56589787) has the molecular formula C15H12BrN5 and a molecular weight of 342.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline
PubChem CID56589787
Molecular FormulaC15H12BrN5
Molecular Weight342.20 g/mol
Exact Mass341.03
IUPAC Name3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline
SMILESCc1cccc2c1N=C1N(C2)N=NN1c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN5/c1-10-3-2-4-11-9-20-15(17-14(10)11)21(19-18-20)13-7-5-12(16)6-8-13/h2-8H,9H2,1H3
InChIKeyZVPPWXRUPOVMRC-UHFFFAOYSA-N
XLogP4.36
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline?
The IUPAC name of 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline (CID 56589787) is 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline.
What is the SMILES notation for 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline?
The canonical SMILES for 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline is Cc1cccc2c1N=C1N(C2)N=NN1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline?
The InChIKey is ZVPPWXRUPOVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5/c1-10-3-2-4-11-9-20-15(17-14(10)11)21(19-18-20)13-7-5-12(16)6-8-13/h2-8H,9H2,1H3.
What are the key properties of 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline?
3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline has a molecular weight of 342.20 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-methyl-9H-tetrazolo[5,1-b]quinazoline is sourced from PubChem (CID 56589787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).