ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine

C7H11N5 — CID 143935819

IUPACethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine
SMILESCC.Cc1ncnn2ncnc12
InChIInChI=1S/C5H5N5.C2H6/c1-4-5-7-3-9-10(5)8-2-6-4;1-2/h2-3H,1H3;1-2H3
InChIKeyYJWSCPANRQXOBJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.85
Rot. Bonds

About ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine

ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine (PubChem CID 143935819) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Nameethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine
PubChem CID143935819
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Nameethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine
SMILESCC.Cc1ncnn2ncnc12
InChIInChI=1S/C5H5N5.C2H6/c1-4-5-7-3-9-10(5)8-2-6-4;1-2/h2-3H,1H3;1-2H3
InChIKeyYJWSCPANRQXOBJ-UHFFFAOYSA-N
XLogP0.85
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylpyrazolo[5,1-f][1,2,4]triazine
CID 143935781
6-chloro-7,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 15234878
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 66636284
6-chloro-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 121232255
8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164553586
dimethyl [1,2,4]triazolo[1,5-b]pyridazine-7,8-dicarboxylate
CID 14639061
1-methanimidoyl-5-methyl-1,2,4-triazin-6-imine
CID 143935845
6-ethenyl-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 167620295
4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 58526542
8-isocyano-5,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 176758388
5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine;ethane
CID 90868321
7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164876385

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine?
The IUPAC name of ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine (CID 143935819) is ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine.
What is the SMILES notation for ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine?
The canonical SMILES for ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine is CC.Cc1ncnn2ncnc12.
What is the InChIKey of ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine?
The InChIKey is YJWSCPANRQXOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.C2H6/c1-4-5-7-3-9-10(5)8-2-6-4;1-2/h2-3H,1H3;1-2H3.
What are the key properties of ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine?
ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine has a molecular weight of 165.20 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 143935819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).