4H-diazepine

C5H6N2 — CID 22386601

IUPAC4H-diazepine
SMILESC1=CCC=NN=C1
InChIInChI=1S/C5H6N2/c1-2-4-6-7-5-3-1/h1-2,4-5H,3H2
InChIKeyDNMARRMBWVOOBX-UHFFFAOYSA-N
MW94.12 g/mol
LogP1.00
Rot. Bonds

About 4H-diazepine

4H-diazepine (PubChem CID 22386601) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 4H-diazepine.

Molecular Properties

Compound Name4H-diazepine
PubChem CID22386601
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name4H-diazepine
SMILESC1=CCC=NN=C1
InChIInChI=1S/C5H6N2/c1-2-4-6-7-5-3-1/h1-2,4-5H,3H2
InChIKeyDNMARRMBWVOOBX-UHFFFAOYSA-N
XLogP1.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diazepine-4-thione
CID 19778625
Pent-2-ene-1,5-diimine
CID 53718158
4,5-Dihydrotriazocine
CID 68502407
(1Z,6Z)-4,5-dihydrotriazocine
CID 87476378
(E,Z)-N-(methylideneamino)pent-2-en-1-imine
CID 91023676
N-(ethylideneamino)pent-2-en-1-imine
CID 123168731
(E)-N-[(E)-ethylideneamino]pent-2-en-1-imine
CID 123479486
1,2-Diazacyclopentadeca-2,5,7,9,11,13,15-heptaene
CID 123710600
(Z)-N-(methylideneamino)hex-4-en-1-imine
CID 123746935
(Z,Z)-N-[(Z)-ethylideneamino]pent-2-en-1-imine
CID 129275902
4,4-Dimethyldiazepine
CID 130368746
4-Iodo-4-methyldiazepine
CID 142158036

Frequently Asked Questions

What is the IUPAC name of 4H-diazepine?
The IUPAC name of 4H-diazepine (CID 22386601) is 4H-diazepine.
What is the SMILES notation for 4H-diazepine?
The canonical SMILES for 4H-diazepine is C1=CCC=NN=C1.
What is the InChIKey of 4H-diazepine?
The InChIKey is DNMARRMBWVOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-4-6-7-5-3-1/h1-2,4-5H,3H2.
What are the key properties of 4H-diazepine?
4H-diazepine has a molecular weight of 94.12 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-diazepine is sourced from PubChem (CID 22386601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).