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

C18H15N5O2S — CID 134790991

IUPAC3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CC1)c1ccccc12
InChIInChI=1S/C18H15N5O2S/c24-26(25,13-6-2-1-3-7-13)18-17-20-16(19-12-10-11-12)14-8-4-5-9-15(14)23(17)22-21-18/h1-9,12H,10-11H2,(H,19,20)
InChIKeyGWFNPWJNUVQNGA-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.68
Rot. Bonds4

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

3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 134790991) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID134790991
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CC1)c1ccccc12
InChIInChI=1S/C18H15N5O2S/c24-26(25,13-6-2-1-3-7-13)18-17-20-16(19-12-10-11-12)14-8-4-5-9-15(14)23(17)22-21-18/h1-9,12H,10-11H2,(H,19,20)
InChIKeyGWFNPWJNUVQNGA-UHFFFAOYSA-N
XLogP2.68
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine (CID 134790991) is 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine is O=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CC1)c1ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is GWFNPWJNUVQNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-26(25,13-6-2-1-3-7-13)18-17-20-16(19-12-10-11-12)14-8-4-5-9-15(14)23(17)22-21-18/h1-9,12H,10-11H2,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 365.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 134790991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).