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

C7H10N2 — CID 142088261

IUPAC4,5-dimethyl-4H-1,3-diazepine
SMILESCC1=CC=NC=NC1C
InChIInChI=1S/C7H10N2/c1-6-3-4-8-5-9-7(6)2/h3-5,7H,1-2H3
InChIKeyQBZYNKXBGUCGGK-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

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

4,5-dimethyl-4H-1,3-diazepine (PubChem CID 142088261) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4,5-dimethyl-4H-1,3-diazepine.

Molecular Properties

Compound Name4,5-dimethyl-4H-1,3-diazepine
PubChem CID142088261
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4,5-dimethyl-4H-1,3-diazepine
SMILESCC1=CC=NC=NC1C
InChIInChI=1S/C7H10N2/c1-6-3-4-8-5-9-7(6)2/h3-5,7H,1-2H3
InChIKeyQBZYNKXBGUCGGK-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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Related Compounds

2,3-dimethyl-2H-pyrrole
CID 14938985
7-methyl-4H-1,3-diazepine
CID 68092516
N,4-dimethyl-3H-pyridin-6-imine
CID 123755468
4-methyl-6-propan-2-yl-4H-1,3-diazepine
CID 129200463
5-methyl-4H-1,3-diazepine
CID 130416482
4,4-Dimethyl-1,3-diazepine
CID 134399062
6-Ethyl-4,4-dimethyl-1,3-diazepine
CID 137446249
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
2,5,7-trimethyl-4H-1,3-diazepine
CID 142010058
2,4-dimethyl-4H-1,3-diazepine
CID 142144595
2,4,6-trimethyl-4H-1,3-diazepine
CID 142223515
4,4,6-Trimethyl-1,3-diazepine
CID 142872843

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-4H-1,3-diazepine?
The IUPAC name of 4,5-dimethyl-4H-1,3-diazepine (CID 142088261) is 4,5-dimethyl-4H-1,3-diazepine.
What is the SMILES notation for 4,5-dimethyl-4H-1,3-diazepine?
The canonical SMILES for 4,5-dimethyl-4H-1,3-diazepine is CC1=CC=NC=NC1C.
What is the InChIKey of 4,5-dimethyl-4H-1,3-diazepine?
The InChIKey is QBZYNKXBGUCGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-4-8-5-9-7(6)2/h3-5,7H,1-2H3.
What are the key properties of 4,5-dimethyl-4H-1,3-diazepine?
4,5-dimethyl-4H-1,3-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 4,5-dimethyl-4H-1,3-diazepine is sourced from PubChem (CID 142088261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).