7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C9H13N5 — CID 3070769

IUPAC7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1nnc2nc(C(C)(C)C)cnn12
InChIInChI=1S/C9H13N5/c1-6-12-13-8-11-7(9(2,3)4)5-10-14(6)8/h5H,1-4H3
InChIKeyDHZOTNNVATXARW-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.13
Rot. Bonds

About 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 3070769) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID3070769
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1nnc2nc(C(C)(C)C)cnn12
InChIInChI=1S/C9H13N5/c1-6-12-13-8-11-7(9(2,3)4)5-10-14(6)8/h5H,1-4H3
InChIKeyDHZOTNNVATXARW-UHFFFAOYSA-N
XLogP1.13
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

as-Triazine, 5-tert-butyl-3-methoxy-
CID 12853062
7-Bromo-3-(1-fluoro-1-methylethyl)imidazo[1,2-b][1,2,4]triazine
CID 11459593
3-(1-Fluoro-1-methylethyl)imidazo[1,2-b][1,2,4]triazine
CID 22240098
3-(1,1-Difluoroethyl)imidazo[1,2-b][1,2,4]triazine
CID 22329558
8-Fluoro-2-methyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine
CID 176741427
5-Tert-butyl-1,2,4-triazin-3-amine
CID 15564622
5-Tert-butyl-1,2,4-triazine
CID 23383499
2-(2-Fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine
CID 22240095
2-(Difluoromethyl)-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine
CID 178765537
1,2,4-Triazolo[4,3-b][1,2,4]triazine, 3,7-dimethyl-
CID 557341
5-(tert-Butyl)-3-chloro-1,2,4-triazine
CID 15564621
7-Bromo-3-tert-butylimidazo[1,2-b][1,2,4]triazine
CID 22329521

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 3070769) is 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Cc1nnc2nc(C(C)(C)C)cnn12.
What is the InChIKey of 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is DHZOTNNVATXARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6-12-13-8-11-7(9(2,3)4)5-10-14(6)8/h5H,1-4H3.
What are the key properties of 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 191.24 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 3070769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).