5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C13H17N5O2S — CID 706474

IUPAC5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C13H17N5O2S/c1-5-7-17(8-6-2)21(19,20)13-15-12-14-10(3)9-11(4)18(12)16-13/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyHDIFUPBIFSCXRH-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.10
Rot. Bonds6

About 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 706474) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID706474
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C13H17N5O2S/c1-5-7-17(8-6-2)21(19,20)13-15-12-14-10(3)9-11(4)18(12)16-13/h5-6,9H,1-2,7-8H2,3-4H3
InChIKeyHDIFUPBIFSCXRH-UHFFFAOYSA-N
XLogP1.10
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 706474) is 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is HDIFUPBIFSCXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-5-7-17(8-6-2)21(19,20)13-15-12-14-10(3)9-11(4)18(12)16-13/h5-6,9H,1-2,7-8H2,3-4H3.
What are the key properties of 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 706474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).