6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine

C11H16N4 — CID 142335201

IUPAC6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine
SMILESCC(C)n1cnc2c1N=CC(C)(C)N=C2
InChIInChI=1S/C11H16N4/c1-8(2)15-7-13-9-5-14-11(3,4)6-12-10(9)15/h5-8H,1-4H3
InChIKeyPNTDLCUNYJWUNO-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.38
Rot. Bonds1

About 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine

6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine (PubChem CID 142335201) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine.

Molecular Properties

Compound Name6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine
PubChem CID142335201
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine
SMILESCC(C)n1cnc2c1N=CC(C)(C)N=C2
InChIInChI=1S/C11H16N4/c1-8(2)15-7-13-9-5-14-11(3,4)6-12-10(9)15/h5-8H,1-4H3
InChIKeyPNTDLCUNYJWUNO-UHFFFAOYSA-N
XLogP2.38
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine?
The IUPAC name of 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine (CID 142335201) is 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine.
What is the SMILES notation for 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine?
The canonical SMILES for 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine is CC(C)n1cnc2c1N=CC(C)(C)N=C2.
What is the InChIKey of 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine?
The InChIKey is PNTDLCUNYJWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8(2)15-7-13-9-5-14-11(3,4)6-12-10(9)15/h5-8H,1-4H3.
What are the key properties of 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine?
6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine has a molecular weight of 204.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propan-2-ylimidazo[4,5-e][1,4]diazepine is sourced from PubChem (CID 142335201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).