7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole

C5H8N4 — CID 15304946

IUPAC7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
SMILESCC1CCn2nnnc21
InChIInChI=1S/C5H8N4/c1-4-2-3-9-5(4)6-7-8-9/h4H,2-3H2,1H3
InChIKeyQRWXXANTWUIJKQ-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.18
Rot. Bonds

About 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole

7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole (PubChem CID 15304946) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole.

Molecular Properties

Compound Name7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
PubChem CID15304946
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
SMILESCC1CCn2nnnc21
InChIInChI=1S/C5H8N4/c1-4-2-3-9-5(4)6-7-8-9/h4H,2-3H2,1H3
InChIKeyQRWXXANTWUIJKQ-UHFFFAOYSA-N
XLogP0.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole 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 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole?
The IUPAC name of 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole (CID 15304946) is 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole.
What is the SMILES notation for 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole?
The canonical SMILES for 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole is CC1CCn2nnnc21.
What is the InChIKey of 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole?
The InChIKey is QRWXXANTWUIJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-4-2-3-9-5(4)6-7-8-9/h4H,2-3H2,1H3.
What are the key properties of 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole?
7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole has a molecular weight of 124.15 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole is sourced from PubChem (CID 15304946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).