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

C14H19N5O2S — CID 706955

IUPAC5,6,7-trimethyl-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)c(C)c(C)n2n1
InChIInChI=1S/C14H19N5O2S/c1-6-8-18(9-7-2)22(20,21)14-16-13-15-11(4)10(3)12(5)19(13)17-14/h6-7H,1-2,8-9H2,3-5H3
InChIKeyXMVSYVNXBUGLNS-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.41
Rot. Bonds6

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

5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 706955) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID706955
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name5,6,7-trimethyl-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)c(C)c(C)n2n1
InChIInChI=1S/C14H19N5O2S/c1-6-8-18(9-7-2)22(20,21)14-16-13-15-11(4)10(3)12(5)19(13)17-14/h6-7H,1-2,8-9H2,3-5H3
InChIKeyXMVSYVNXBUGLNS-UHFFFAOYSA-N
XLogP1.41
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.41
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 5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 706955) is 5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,6,7-trimethyl-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)c(C)c(C)n2n1.
What is the InChIKey of 5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is XMVSYVNXBUGLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-6-8-18(9-7-2)22(20,21)14-16-13-15-11(4)10(3)12(5)19(13)17-14/h6-7H,1-2,8-9H2,3-5H3.
What are the key properties of 5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 321.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-N,N-bis(prop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 706955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).