3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine

C18H17N5O2S — CID 2136382

IUPAC3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
SMILESCC(C)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C18H17N5O2S/c1-12(2)19-16-14-10-6-7-11-15(14)23-17(20-16)18(21-22-23)26(24,25)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,20)
InChIKeyLJVXTKCKRPXWMV-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.93
Rot. Bonds4

About 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine

3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 2136382) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
PubChem CID2136382
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
SMILESCC(C)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C18H17N5O2S/c1-12(2)19-16-14-10-6-7-11-15(14)23-17(20-16)18(21-22-23)26(24,25)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,20)
InChIKeyLJVXTKCKRPXWMV-UHFFFAOYSA-N
XLogP2.93
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine (CID 2136382) is 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine is CC(C)Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is LJVXTKCKRPXWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-12(2)19-16-14-10-6-7-11-15(14)23-17(20-16)18(21-22-23)26(24,25)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 367.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2136382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).