4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

C15H14N4O2S — CID 98691630

IUPAC4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCn2ncnc21
InChIInChI=1S/C15H14N4O2S/c20-22(21,19-9-3-8-18-15(19)16-11-17-18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11H,3,8-9H2
InChIKeyQXKSAHIOJCXJAV-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.03
Rot. Bonds2

About 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 98691630) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID98691630
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCCn2ncnc21
InChIInChI=1S/C15H14N4O2S/c20-22(21,19-9-3-8-18-15(19)16-11-17-18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11H,3,8-9H2
InChIKeyQXKSAHIOJCXJAV-UHFFFAOYSA-N
XLogP2.03
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine 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 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine (CID 98691630) is 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine is O=S(=O)(c1ccc2ccccc2c1)N1CCCn2ncnc21.
What is the InChIKey of 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QXKSAHIOJCXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-22(21,19-9-3-8-18-15(19)16-11-17-18)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10-11H,3,8-9H2.
What are the key properties of 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 314.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylsulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 98691630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).