5-methyl-7-phenyl-3H-diazepine

C12H12N2 — CID 15619253

IUPAC5-methyl-7-phenyl-3H-diazepine
SMILESCC1=CCN=NC(c2ccccc2)=C1
InChIInChI=1S/C12H12N2/c1-10-7-8-13-14-12(9-10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyQWGJAUNXJZATAH-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.44
Rot. Bonds1

About 5-methyl-7-phenyl-3H-diazepine

5-methyl-7-phenyl-3H-diazepine (PubChem CID 15619253) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-methyl-7-phenyl-3H-diazepine.

Molecular Properties

Compound Name5-methyl-7-phenyl-3H-diazepine
PubChem CID15619253
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name5-methyl-7-phenyl-3H-diazepine
SMILESCC1=CCN=NC(c2ccccc2)=C1
InChIInChI=1S/C12H12N2/c1-10-7-8-13-14-12(9-10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyQWGJAUNXJZATAH-UHFFFAOYSA-N
XLogP3.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-dimethyl-6-phenyl-3,4-dihydropyridine;propane
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benzene;1,1'-biphenyl;ethane
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4,5,6-trimethyl-2-phenylpyrimidine
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benzene;tris(1,1'-biphenyl)
CID 162155747
2-methyl-7-phenyl-5,6-dihydro-4H-indene
CID 139888685
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
2,6-diphenyl-3,4-dihydropyridine;yttrium
CID 59738556
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-3H-diazepine?
The IUPAC name of 5-methyl-7-phenyl-3H-diazepine (CID 15619253) is 5-methyl-7-phenyl-3H-diazepine.
What is the SMILES notation for 5-methyl-7-phenyl-3H-diazepine?
The canonical SMILES for 5-methyl-7-phenyl-3H-diazepine is CC1=CCN=NC(c2ccccc2)=C1.
What is the InChIKey of 5-methyl-7-phenyl-3H-diazepine?
The InChIKey is QWGJAUNXJZATAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-10-7-8-13-14-12(9-10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 5-methyl-7-phenyl-3H-diazepine?
5-methyl-7-phenyl-3H-diazepine has a molecular weight of 184.24 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-3H-diazepine is sourced from PubChem (CID 15619253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).