5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C11H15N5O2S — CID 3924402

IUPAC5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESC=CCNS(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
InChIInChI=1S/C11H15N5O2S/c1-5-6-12-19(17,18)11-14-10-13-8(3)7(2)9(4)16(10)15-11/h5,12H,1,6H2,2-4H3
InChIKeyNUFZYWLDAHJFSH-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.51
Rot. Bonds4

About 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 3924402) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID3924402
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESC=CCNS(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
InChIInChI=1S/C11H15N5O2S/c1-5-6-12-19(17,18)11-14-10-13-8(3)7(2)9(4)16(10)15-11/h5,12H,1,6H2,2-4H3
InChIKeyNUFZYWLDAHJFSH-UHFFFAOYSA-N
XLogP0.51
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-N,N-dipropyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 715197
N-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 1521544
5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 714971
N-hexyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 4665699
5,7-dimethyl-N-propyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 1719433
N-cyclohexyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 714974
N,N-Diethyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 551849
N-(2-cyano-3-methylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 590740
5,6,7-trimethyl-N,N-dipropyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 706958
5,6,7-Trimethyl-2-(piperidin-1-ylsulfonyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 755820
5,6,7-trimethyl-N-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 755822
5,6,7-Trimethyl-2-[(4-methylpiperidin-1-yl)sulfonyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 4044358

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 3924402) is 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is C=CCNS(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1.
What is the InChIKey of 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is NUFZYWLDAHJFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-5-6-12-19(17,18)11-14-10-13-8(3)7(2)9(4)16(10)15-11/h5,12H,1,6H2,2-4H3.
What are the key properties of 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 3924402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).