2,4-dimethyl-4H-1,3-diazepine

C7H10N2 — CID 142144595

IUPAC2,4-dimethyl-4H-1,3-diazepine
SMILESCC1=NC(C)C=CC=N1
InChIInChI=1S/C7H10N2/c1-6-4-3-5-8-7(2)9-6/h3-6H,1-2H3
InChIKeyXREIRJNXIXNKMT-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

About 2,4-dimethyl-4H-1,3-diazepine

2,4-dimethyl-4H-1,3-diazepine (PubChem CID 142144595) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,4-dimethyl-4H-1,3-diazepine.

Molecular Properties

Compound Name2,4-dimethyl-4H-1,3-diazepine
PubChem CID142144595
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2,4-dimethyl-4H-1,3-diazepine
SMILESCC1=NC(C)C=CC=N1
InChIInChI=1S/C7H10N2/c1-6-4-3-5-8-7(2)9-6/h3-6H,1-2H3
InChIKeyXREIRJNXIXNKMT-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

7-methyl-4H-1,3-diazepine
CID 68092516
2,7-dimethyl-4H-1,3-diazepine
CID 68207872
2-methyl-7aH-imidazo[4,5-b]pyridine
CID 89349292
(3E,6Z)-N-propyl-5H-azocin-2-imine
CID 123511104
4-Methyl-1-aza-3-azoniacyclohepta-2,3,5,7-tetraene
CID 123874377
4,4-Dimethyl-1,3-diazepine
CID 134399062
4,5-dimethyl-4H-1,3-diazepine
CID 142088261
2,4,6-trimethyl-4H-1,3-diazepine
CID 142223515
(2,4-Dimethyl-1,3-diazepin-4-yl)-methylphosphane
CID 142254158
2,4-Dimethyl-1,3-diazepin-4-amine
CID 143099968
2,4,4-Trimethyl-1,3-diazepine
CID 143263086
2,4,4,6-Tetramethyl-1,3-diazepine
CID 143585606

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4H-1,3-diazepine?
The IUPAC name of 2,4-dimethyl-4H-1,3-diazepine (CID 142144595) is 2,4-dimethyl-4H-1,3-diazepine.
What is the SMILES notation for 2,4-dimethyl-4H-1,3-diazepine?
The canonical SMILES for 2,4-dimethyl-4H-1,3-diazepine is CC1=NC(C)C=CC=N1.
What is the InChIKey of 2,4-dimethyl-4H-1,3-diazepine?
The InChIKey is XREIRJNXIXNKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-4-3-5-8-7(2)9-6/h3-6H,1-2H3.
What are the key properties of 2,4-dimethyl-4H-1,3-diazepine?
2,4-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 2,4-dimethyl-4H-1,3-diazepine is sourced from PubChem (CID 142144595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).