3,7-dimethyl-3H-diazepine

C7H10N2 — CID 142893871

IUPAC3,7-dimethyl-3H-diazepine
SMILESCC1=CC=CC(C)N=N1
InChIInChI=1S/C7H10N2/c1-6-4-3-5-7(2)9-8-6/h3-6H,1-2H3
InChIKeyQRKZLLDPKWMRRT-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.30
Rot. Bonds

About 3,7-dimethyl-3H-diazepine

3,7-dimethyl-3H-diazepine (PubChem CID 142893871) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3,7-dimethyl-3H-diazepine.

Molecular Properties

Compound Name3,7-dimethyl-3H-diazepine
PubChem CID142893871
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3,7-dimethyl-3H-diazepine
SMILESCC1=CC=CC(C)N=N1
InChIInChI=1S/C7H10N2/c1-6-4-3-5-7(2)9-8-6/h3-6H,1-2H3
InChIKeyQRKZLLDPKWMRRT-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tropylium azide
CID 12625269
5,7-Dimethyl-3h-[1,2]diazepine
CID 15619251
3,5,7-Trimethyl-3H-1,2-diazepine
CID 15619252
3,5-dimethyl-7-propan-2-yl-3H-diazepine
CID 45096244
3,7-Diethyl-5-methyl-1,2(4H)-diazepine
CID 557158
3,5-dimethyl-3H-pyrazole
CID 15412128
7-ethyl-3H-diazepine
CID 68405229
3-Propylidenediazepine
CID 69059164
4-Azido-2-methylcyclohepta-1,3,5-triene
CID 90222154
(3E,5Z)-4-azidohepta-3,5-dien-2-amine
CID 90222170
3,3-Dimethyldiazepine
CID 129075643
3-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrazole
CID 130268133

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3H-diazepine?
The IUPAC name of 3,7-dimethyl-3H-diazepine (CID 142893871) is 3,7-dimethyl-3H-diazepine.
What is the SMILES notation for 3,7-dimethyl-3H-diazepine?
The canonical SMILES for 3,7-dimethyl-3H-diazepine is CC1=CC=CC(C)N=N1.
What is the InChIKey of 3,7-dimethyl-3H-diazepine?
The InChIKey is QRKZLLDPKWMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-4-3-5-7(2)9-8-6/h3-6H,1-2H3.
What are the key properties of 3,7-dimethyl-3H-diazepine?
3,7-dimethyl-3H-diazepine has a molecular weight of 122.17 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3H-diazepine is sourced from PubChem (CID 142893871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).