3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine

C15H11N5O2S — CID 162236162

IUPAC3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
SMILESNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C15H11N5O2S/c16-13-11-8-4-5-9-12(11)20-14(17-13)15(18-19-20)23(21,22)10-6-2-1-3-7-10/h1-9H,(H2,16,17)
InChIKeyZWBWWJYTKRLNBB-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.69
Rot. Bonds2

About 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine

3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 162236162) has the molecular formula C15H11N5O2S and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID162236162
Molecular FormulaC15H11N5O2S
Molecular Weight325.35 g/mol
Exact Mass325.06
IUPAC Name3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
SMILESNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C15H11N5O2S/c16-13-11-8-4-5-9-12(11)20-14(17-13)15(18-19-20)23(21,22)10-6-2-1-3-7-10/h1-9H,(H2,16,17)
InChIKeyZWBWWJYTKRLNBB-UHFFFAOYSA-N
XLogP1.69
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
CID 134790991
3-phenyltriazolo[1,5-a]quinazolin-5-amine
CID 5304078
1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide
CID 16832851
3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878557
3-(benzenesulfonyl)-N-(2-methoxyethyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878438
3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137376
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
CID 97034684
3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine
CID 18559153
3-(benzenesulfonyl)-5-(4-benzylpiperazin-1-yl)triazolo[1,5-a]quinazoline
CID 16807303
3-(benzenesulfonyl)-N-[1-(4-fluorophenyl)ethyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365909
3-(benzenesulfonyl)-5-(4-prop-2-enylpiperazin-1-yl)triazolo[1,5-a]quinazoline
CID 51366198
3-(benzenesulfonyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]quinazolin-5-amine
CID 95183236

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine (CID 162236162) is 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine is Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is ZWBWWJYTKRLNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S/c16-13-11-8-4-5-9-12(11)20-14(17-13)15(18-19-20)23(21,22)10-6-2-1-3-7-10/h1-9H,(H2,16,17).
What are the key properties of 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 325.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 162236162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).