5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane

C9H14N4 — CID 90868321

IUPAC5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1cn2ncnc2nc1C
InChIInChI=1S/C7H8N4.C2H6/c1-5-3-11-7(8-4-9-11)10-6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyIOSVGCNOHILMFE-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.77
Rot. Bonds

About 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane

5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane (PubChem CID 90868321) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
PubChem CID90868321
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1cn2ncnc2nc1C
InChIInChI=1S/C7H8N4.C2H6/c1-5-3-11-7(8-4-9-11)10-6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyIOSVGCNOHILMFE-UHFFFAOYSA-N
XLogP1.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
CID 118335569
5-methyl-6-(piperidin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 162521944
6,7-dimethylimidazo[1,2-a]pyrimidine;ethane
CID 91587654
N-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 66505352
5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
CID 141186763
5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58270253
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 121232255
[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-amine
CID 170774084
6-(2-chloro-4,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 59805865
5,7-dimethyl-6-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58896608
7-chloro-6-iodo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 170900285
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-amine
CID 84767353

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane (CID 90868321) is 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane is CC.Cc1cn2ncnc2nc1C.
What is the InChIKey of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane?
The InChIKey is IOSVGCNOHILMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.C2H6/c1-5-3-11-7(8-4-9-11)10-6(5)2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane?
5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane has a molecular weight of 178.24 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 90868321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).