6-methyl-3,6-dihydro-2H-tetrazepine

C4H8N4 — CID 143500098

IUPAC6-methyl-3,6-dihydro-2H-tetrazepine
SMILESCC1C=NNNN=C1
InChIInChI=1S/C4H8N4/c1-4-2-5-7-8-6-3-4/h2-4,7-8H,1H3
InChIKeyFDWYONXAUZUMKG-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.30
Rot. Bonds

About 6-methyl-3,6-dihydro-2H-tetrazepine

6-methyl-3,6-dihydro-2H-tetrazepine (PubChem CID 143500098) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 6-methyl-3,6-dihydro-2H-tetrazepine.

Molecular Properties

Compound Name6-methyl-3,6-dihydro-2H-tetrazepine
PubChem CID143500098
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name6-methyl-3,6-dihydro-2H-tetrazepine
SMILESCC1C=NNNN=C1
InChIInChI=1S/C4H8N4/c1-4-2-5-7-8-6-3-4/h2-4,7-8H,1H3
InChIKeyFDWYONXAUZUMKG-UHFFFAOYSA-N
XLogP-0.30
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,6-dihydro-2H-tetrazepine?
The IUPAC name of 6-methyl-3,6-dihydro-2H-tetrazepine (CID 143500098) is 6-methyl-3,6-dihydro-2H-tetrazepine.
What is the SMILES notation for 6-methyl-3,6-dihydro-2H-tetrazepine?
The canonical SMILES for 6-methyl-3,6-dihydro-2H-tetrazepine is CC1C=NNNN=C1.
What is the InChIKey of 6-methyl-3,6-dihydro-2H-tetrazepine?
The InChIKey is FDWYONXAUZUMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-4-2-5-7-8-6-3-4/h2-4,7-8H,1H3.
What are the key properties of 6-methyl-3,6-dihydro-2H-tetrazepine?
6-methyl-3,6-dihydro-2H-tetrazepine has a molecular weight of 112.14 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,6-dihydro-2H-tetrazepine is sourced from PubChem (CID 143500098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).