6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C9H10N8 — CID 578661

IUPAC6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nnc(C)n3n2)n1
InChIInChI=1S/C9H10N8/c1-5-4-6(2)16(14-5)9-13-12-8-11-10-7(3)17(8)15-9/h4H,1-3H3
InChIKeyKIYGYIMXPBKDLZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.03
Rot. Bonds1

About 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 578661) has the molecular formula C9H10N8 and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID578661
Molecular FormulaC9H10N8
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESCc1cc(C)n(-c2nnc3nnc(C)n3n2)n1
InChIInChI=1S/C9H10N8/c1-5-4-6(2)16(14-5)9-13-12-8-11-10-7(3)17(8)15-9/h4H,1-3H3
InChIKeyKIYGYIMXPBKDLZ-UHFFFAOYSA-N
XLogP0.03
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 578661) is 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is Cc1cc(C)n(-c2nnc3nnc(C)n3n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is KIYGYIMXPBKDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8/c1-5-4-6(2)16(14-5)9-13-12-8-11-10-7(3)17(8)15-9/h4H,1-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 230.23 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 578661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).