N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C14H15N5O2S — CID 715193

IUPACN,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)N(C)c3ccccc3)nc2n1
InChIInChI=1S/C14H15N5O2S/c1-10-9-11(2)19-13(15-10)16-14(17-19)22(20,21)18(3)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyPZDQLAJFTLUVLC-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.57
Rot. Bonds3

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

N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 715193) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID715193
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)N(C)c3ccccc3)nc2n1
InChIInChI=1S/C14H15N5O2S/c1-10-9-11(2)19-13(15-10)16-14(17-19)22(20,21)18(3)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyPZDQLAJFTLUVLC-UHFFFAOYSA-N
XLogP1.57
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Flumetsulam
CID 91759
Xrd 489
CID 179147
5-Methyl-2-methylsulfanyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1255801
N-benzyl-N,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 706075
N-benzyl-N-ethyl-5,6,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 1242591
5,7-dimethyl-N-(2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 715192
N-ethyl-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5309692
N-({5,7-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL}methyl)-4-fluorobenzene-1-sulfonamide
CID 16012583
7-cyclopropyl-N-(2-ethyl-6-methyl-phenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 71588162
N-(3-Fluorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 629385
5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155130
N-(2-Chlorophenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 627369

Frequently Asked Questions

What is the IUPAC name of N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 715193) is N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)N(C)c3ccccc3)nc2n1.
What is the InChIKey of N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is PZDQLAJFTLUVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-10-9-11(2)19-13(15-10)16-14(17-19)22(20,21)18(3)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,7-trimethyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 715193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).