4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

C15H16N6O2S — CID 154747876

IUPAC4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCCn2ncnc21
InChIInChI=1S/C15H16N6O2S/c22-24(23,21-8-4-7-20-15(21)16-12-18-20)14-9-17-19(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11-12H,4,7-8,10H2
InChIKeyXORGYPVMYTUJDS-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.12
Rot. Bonds4

About 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 154747876) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID154747876
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCCn2ncnc21
InChIInChI=1S/C15H16N6O2S/c22-24(23,21-8-4-7-20-15(21)16-12-18-20)14-9-17-19(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11-12H,4,7-8,10H2
InChIKeyXORGYPVMYTUJDS-UHFFFAOYSA-N
XLogP1.12
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

(2S,5S)-4-(1-benzylpyrazol-4-yl)sulfonyl-2,5-dimethylmorpholine
CID 98750623
2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 136549115
[(2R,3S)-1-(1-benzylpyrazol-4-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 125146183
2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 86870379
(1R)-1-[(2S)-1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 124689676
1-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 86870315
(3aS,6aR)-2-(1-benzylpyrazol-4-yl)sulfonyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679594
1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
CID 63278705
[1-(1-benzylpyrazol-4-yl)sulfonyl-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 139001905
4-(1-benzylpyrazol-4-yl)sulfonyl-2-methyl-6-phenylmorpholine
CID 86870426
(2R)-4-(1-benzylpyrazol-4-yl)sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129329607
4-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
CID 163405560

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine (CID 154747876) is 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine is O=S(=O)(c1cnn(Cc2ccccc2)c1)N1CCCn2ncnc21.
What is the InChIKey of 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XORGYPVMYTUJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c22-24(23,21-8-4-7-20-15(21)16-12-18-20)14-9-17-19(11-14)10-13-5-2-1-3-6-13/h1-3,5-6,9,11-12H,4,7-8,10H2.
What are the key properties of 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 344.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrazol-4-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154747876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).