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

C20H19N5O2S — CID 2136385

IUPAC3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CCCC1)c1ccccc12
InChIInChI=1S/C20H19N5O2S/c26-28(27,15-10-2-1-3-11-15)20-19-22-18(21-14-8-4-5-9-14)16-12-6-7-13-17(16)25(19)24-23-20/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22)
InChIKeySJYREKKUTZGVJJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.46
Rot. Bonds4

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

3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 2136385) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID2136385
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine
SMILESO=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CCCC1)c1ccccc12
InChIInChI=1S/C20H19N5O2S/c26-28(27,15-10-2-1-3-11-15)20-19-22-18(21-14-8-4-5-9-14)16-12-6-7-13-17(16)25(19)24-23-20/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22)
InChIKeySJYREKKUTZGVJJ-UHFFFAOYSA-N
XLogP3.46
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine (CID 2136385) is 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine is O=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CCCC1)c1ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is SJYREKKUTZGVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-28(27,15-10-2-1-3-11-15)20-19-22-18(21-14-8-4-5-9-14)16-12-6-7-13-17(16)25(19)24-23-20/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 393.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-cyclopentyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2136385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).