1H-1,2-benzodiazepine;diazepane

C14H20N4 — CID 66669180

IUPAC1H-1,2-benzodiazepine;diazepane
SMILESC1=Cc2ccccc2NN=C1.C1CCNNCC1
InChIInChI=1S/C9H8N2.C5H12N2/c1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-4-6-7-5-3-1/h1-7,11H;6-7H,1-5H2
InChIKeyFWRTZDJBIUCQNL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.38
Rot. Bonds

About 1H-1,2-benzodiazepine;diazepane

1H-1,2-benzodiazepine;diazepane (PubChem CID 66669180) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1H-1,2-benzodiazepine;diazepane.

Molecular Properties

Compound Name1H-1,2-benzodiazepine;diazepane
PubChem CID66669180
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1H-1,2-benzodiazepine;diazepane
SMILESC1=Cc2ccccc2NN=C1.C1CCNNCC1
InChIInChI=1S/C9H8N2.C5H12N2/c1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-4-6-7-5-3-1/h1-7,11H;6-7H,1-5H2
InChIKeyFWRTZDJBIUCQNL-UHFFFAOYSA-N
XLogP2.38
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2-benzodiazepine;diazepane?
The IUPAC name of 1H-1,2-benzodiazepine;diazepane (CID 66669180) is 1H-1,2-benzodiazepine;diazepane.
What is the SMILES notation for 1H-1,2-benzodiazepine;diazepane?
The canonical SMILES for 1H-1,2-benzodiazepine;diazepane is C1=Cc2ccccc2NN=C1.C1CCNNCC1.
What is the InChIKey of 1H-1,2-benzodiazepine;diazepane?
The InChIKey is FWRTZDJBIUCQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C5H12N2/c1-2-6-9-8(4-1)5-3-7-10-11-9;1-2-4-6-7-5-3-1/h1-7,11H;6-7H,1-5H2.
What are the key properties of 1H-1,2-benzodiazepine;diazepane?
1H-1,2-benzodiazepine;diazepane has a molecular weight of 244.34 g/mol, XLogP of 2.38, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2-benzodiazepine;diazepane is sourced from PubChem (CID 66669180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).