6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene

C6H7N3 — CID 129190394

IUPAC6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene
SMILESCC1=C=NC=NN=C1C
InChIInChI=1S/C6H7N3/c1-5-3-7-4-8-9-6(5)2/h4H,1-2H3
InChIKeyZBMNTHCKUTXTFS-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.02
Rot. Bonds

About 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene

6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene (PubChem CID 129190394) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene.

Molecular Properties

Compound Name6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene
PubChem CID129190394
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene
SMILESCC1=C=NC=NN=C1C
InChIInChI=1S/C6H7N3/c1-5-3-7-4-8-9-6(5)2/h4H,1-2H3
InChIKeyZBMNTHCKUTXTFS-UHFFFAOYSA-N
XLogP1.02
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene?
The IUPAC name of 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene (CID 129190394) is 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene.
What is the SMILES notation for 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene?
The canonical SMILES for 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene is CC1=C=NC=NN=C1C.
What is the InChIKey of 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene?
The InChIKey is ZBMNTHCKUTXTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-3-7-4-8-9-6(5)2/h4H,1-2H3.
What are the key properties of 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene?
6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene has a molecular weight of 121.14 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1,2,4-triazacyclohepta-2,4,5,7-tetraene is sourced from PubChem (CID 129190394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).