2,5,7-trimethyl-4H-1,3-diazepine

C8H12N2 — CID 142010058

IUPAC2,5,7-trimethyl-4H-1,3-diazepine
SMILESCC1=CC(C)=NC(C)=NC1
InChIInChI=1S/C8H12N2/c1-6-4-7(2)10-8(3)9-5-6/h4H,5H2,1-3H3
InChIKeyYZOHZNHQDONXMZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.83
Rot. Bonds

About 2,5,7-trimethyl-4H-1,3-diazepine

2,5,7-trimethyl-4H-1,3-diazepine (PubChem CID 142010058) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,5,7-trimethyl-4H-1,3-diazepine.

Molecular Properties

Compound Name2,5,7-trimethyl-4H-1,3-diazepine
PubChem CID142010058
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,5,7-trimethyl-4H-1,3-diazepine
SMILESCC1=CC(C)=NC(C)=NC1
InChIInChI=1S/C8H12N2/c1-6-4-7(2)10-8(3)9-5-6/h4H,5H2,1-3H3
InChIKeyYZOHZNHQDONXMZ-UHFFFAOYSA-N
XLogP1.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.83
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
N'-methyl-N-[(Z)-pent-3-en-2-ylidene]ethanimidamide
CID 139455721
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
4,5-dimethyl-4H-1,3-diazepine
CID 142088261
2,4,6-trimethyl-4H-1,3-diazepine
CID 142223515
(3Z)-3-ethylidene-N,6-dimethylpyridin-2-imine
CID 142280961
2,6,8-trimethyl-8H-pyrido[2,3-b]azepine
CID 143261930
2,4,4-Trimethyl-1,3-diazepine
CID 143263086
2,4,4,6-Tetramethyl-1,3-diazepine
CID 143585606
ethane;(3Z)-3-ethylidene-N,5,6-trimethylpyridin-2-imine
CID 143716493
5-[(E)-but-2-en-2-yl]-2-ethenyl-4H-imidazole
CID 143784350

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-4H-1,3-diazepine?
The IUPAC name of 2,5,7-trimethyl-4H-1,3-diazepine (CID 142010058) is 2,5,7-trimethyl-4H-1,3-diazepine.
What is the SMILES notation for 2,5,7-trimethyl-4H-1,3-diazepine?
The canonical SMILES for 2,5,7-trimethyl-4H-1,3-diazepine is CC1=CC(C)=NC(C)=NC1.
What is the InChIKey of 2,5,7-trimethyl-4H-1,3-diazepine?
The InChIKey is YZOHZNHQDONXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-4-7(2)10-8(3)9-5-6/h4H,5H2,1-3H3.
What are the key properties of 2,5,7-trimethyl-4H-1,3-diazepine?
2,5,7-trimethyl-4H-1,3-diazepine has a molecular weight of 136.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-4H-1,3-diazepine is sourced from PubChem (CID 142010058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).