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

C16H13N5O2S — CID 22423856

IUPAC3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine
SMILESCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C16H13N5O2S/c1-17-14-12-9-5-6-10-13(12)21-15(18-14)16(19-20-21)24(22,23)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,18)
InChIKeyAOMLPOXHZHVZSB-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.15
Rot. Bonds3

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

3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 22423856) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID22423856
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine
SMILESCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C16H13N5O2S/c1-17-14-12-9-5-6-10-13(12)21-15(18-14)16(19-20-21)24(22,23)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,18)
InChIKeyAOMLPOXHZHVZSB-UHFFFAOYSA-N
XLogP2.15
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine (CID 22423856) is 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine is CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is AOMLPOXHZHVZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-17-14-12-9-5-6-10-13(12)21-15(18-14)16(19-20-21)24(22,23)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 339.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 22423856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).