7-methyl-1H-1,3-diazepine

C6H8N2 — CID 91313357

IUPAC7-methyl-1H-1,3-diazepine
SMILESCC1=CC=CN=CN1
InChIInChI=1S/C6H8N2/c1-6-3-2-4-7-5-8-6/h2-5H,1H3,(H,7,8)
InChIKeyZBXAKIDUJNEHNT-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds

About 7-methyl-1H-1,3-diazepine

7-methyl-1H-1,3-diazepine (PubChem CID 91313357) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 7-methyl-1H-1,3-diazepine.

Molecular Properties

Compound Name7-methyl-1H-1,3-diazepine
PubChem CID91313357
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name7-methyl-1H-1,3-diazepine
SMILESCC1=CC=CN=CN1
InChIInChI=1S/C6H8N2/c1-6-3-2-4-7-5-8-6/h2-5H,1H3,(H,7,8)
InChIKeyZBXAKIDUJNEHNT-UHFFFAOYSA-N
XLogP1.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-1,3-diazepine?
The IUPAC name of 7-methyl-1H-1,3-diazepine (CID 91313357) is 7-methyl-1H-1,3-diazepine.
What is the SMILES notation for 7-methyl-1H-1,3-diazepine?
The canonical SMILES for 7-methyl-1H-1,3-diazepine is CC1=CC=CN=CN1.
What is the InChIKey of 7-methyl-1H-1,3-diazepine?
The InChIKey is ZBXAKIDUJNEHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-3-2-4-7-5-8-6/h2-5H,1H3,(H,7,8).
What are the key properties of 7-methyl-1H-1,3-diazepine?
7-methyl-1H-1,3-diazepine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-1,3-diazepine is sourced from PubChem (CID 91313357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).