7,7-dimethylimidazo[1,2-a][1,3]diazepine

C9H11N3 — CID 145030267

IUPAC7,7-dimethylimidazo[1,2-a][1,3]diazepine
SMILESCC1(C)C=Cn2ccnc2N=C1
InChIInChI=1S/C9H11N3/c1-9(2)3-5-12-6-4-10-8(12)11-7-9/h3-7H,1-2H3
InChIKeySJLJNSOBRDOGCB-UHFFFAOYSA-N
MW161.21 g/mol
LogP2.10
Rot. Bonds

About 7,7-dimethylimidazo[1,2-a][1,3]diazepine

7,7-dimethylimidazo[1,2-a][1,3]diazepine (PubChem CID 145030267) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 7,7-dimethylimidazo[1,2-a][1,3]diazepine.

Molecular Properties

Compound Name7,7-dimethylimidazo[1,2-a][1,3]diazepine
PubChem CID145030267
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name7,7-dimethylimidazo[1,2-a][1,3]diazepine
SMILESCC1(C)C=Cn2ccnc2N=C1
InChIInChI=1S/C9H11N3/c1-9(2)3-5-12-6-4-10-8(12)11-7-9/h3-7H,1-2H3
InChIKeySJLJNSOBRDOGCB-UHFFFAOYSA-N
XLogP2.10
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylimidazo[1,2-a][1,3]diazepine?
The IUPAC name of 7,7-dimethylimidazo[1,2-a][1,3]diazepine (CID 145030267) is 7,7-dimethylimidazo[1,2-a][1,3]diazepine.
What is the SMILES notation for 7,7-dimethylimidazo[1,2-a][1,3]diazepine?
The canonical SMILES for 7,7-dimethylimidazo[1,2-a][1,3]diazepine is CC1(C)C=Cn2ccnc2N=C1.
What is the InChIKey of 7,7-dimethylimidazo[1,2-a][1,3]diazepine?
The InChIKey is SJLJNSOBRDOGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-9(2)3-5-12-6-4-10-8(12)11-7-9/h3-7H,1-2H3.
What are the key properties of 7,7-dimethylimidazo[1,2-a][1,3]diazepine?
7,7-dimethylimidazo[1,2-a][1,3]diazepine has a molecular weight of 161.21 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylimidazo[1,2-a][1,3]diazepine is sourced from PubChem (CID 145030267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).