6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine

C6H7N5 — CID 20628650

IUPAC6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine
SMILESCc1[nH]c2nnnnc2c1C
InChIInChI=1S/C6H7N5/c1-3-4(2)7-6-5(3)8-10-11-9-6/h1-2H3,(H,7,9,10)
InChIKeyCHBWQTCGYJLHSK-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.36
Rot. Bonds

About 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine

6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine (PubChem CID 20628650) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine.

Molecular Properties

Compound Name6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine
PubChem CID20628650
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine
SMILESCc1[nH]c2nnnnc2c1C
InChIInChI=1S/C6H7N5/c1-3-4(2)7-6-5(3)8-10-11-9-6/h1-2H3,(H,7,9,10)
InChIKeyCHBWQTCGYJLHSK-UHFFFAOYSA-N
XLogP0.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine?
The IUPAC name of 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine (CID 20628650) is 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine.
What is the SMILES notation for 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine?
The canonical SMILES for 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine is Cc1[nH]c2nnnnc2c1C.
What is the InChIKey of 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine?
The InChIKey is CHBWQTCGYJLHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-3-4(2)7-6-5(3)8-10-11-9-6/h1-2H3,(H,7,9,10).
What are the key properties of 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine?
6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine has a molecular weight of 149.16 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5H-pyrrolo[2,3-e]tetrazine is sourced from PubChem (CID 20628650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).