3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C6H7N5 — CID 557341

IUPAC3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1cnn2c(C)nnc2n1
InChIInChI=1S/C6H7N5/c1-4-3-7-11-5(2)9-10-6(11)8-4/h3H,1-2H3
InChIKeyNVAVSBGZWXIRRK-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.14
Rot. Bonds

About 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 557341) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID557341
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1cnn2c(C)nnc2n1
InChIInChI=1S/C6H7N5/c1-4-3-7-11-5(2)9-10-6(11)8-4/h3H,1-2H3
InChIKeyNVAVSBGZWXIRRK-UHFFFAOYSA-N
XLogP0.14
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 557341) is 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Cc1cnn2c(C)nnc2n1.
What is the InChIKey of 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is NVAVSBGZWXIRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-4-3-7-11-5(2)9-10-6(11)8-4/h3H,1-2H3.
What are the key properties of 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 149.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 557341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).