3,5-dimethyl-5H-1,4-diazepine

C7H10N2 — CID 123324700

IUPAC3,5-dimethyl-5H-1,4-diazepine
SMILESCC1=NC(C)C=CN=C1
InChIInChI=1S/C7H10N2/c1-6-3-4-8-5-7(2)9-6/h3-6H,1-2H3
InChIKeyIRYQKAMRTUFWQX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

About 3,5-dimethyl-5H-1,4-diazepine

3,5-dimethyl-5H-1,4-diazepine (PubChem CID 123324700) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3,5-dimethyl-5H-1,4-diazepine.

Molecular Properties

Compound Name3,5-dimethyl-5H-1,4-diazepine
PubChem CID123324700
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3,5-dimethyl-5H-1,4-diazepine
SMILESCC1=NC(C)C=CN=C1
InChIInChI=1S/C7H10N2/c1-6-3-4-8-5-7(2)9-6/h3-6H,1-2H3
InChIKeyIRYQKAMRTUFWQX-UHFFFAOYSA-N
XLogP1.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5H-1,4-diazepine?
The IUPAC name of 3,5-dimethyl-5H-1,4-diazepine (CID 123324700) is 3,5-dimethyl-5H-1,4-diazepine.
What is the SMILES notation for 3,5-dimethyl-5H-1,4-diazepine?
The canonical SMILES for 3,5-dimethyl-5H-1,4-diazepine is CC1=NC(C)C=CN=C1.
What is the InChIKey of 3,5-dimethyl-5H-1,4-diazepine?
The InChIKey is IRYQKAMRTUFWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-4-8-5-7(2)9-6/h3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-5H-1,4-diazepine?
3,5-dimethyl-5H-1,4-diazepine has a molecular weight of 122.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5H-1,4-diazepine is sourced from PubChem (CID 123324700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).