1,5-dihydroimidazo[4,5-e][1,4]diazepine

C6H6N4 — CID 91462181

IUPAC1,5-dihydroimidazo[4,5-e][1,4]diazepine
SMILESC1=NC=c2[nH]cnc2=NC1
InChIInChI=1S/C6H6N4/c1-2-8-6-5(3-7-1)9-4-10-6/h1,3-4H,2H2,(H,8,9,10)
InChIKeyMVVYTMHBHCBQDE-UHFFFAOYSA-N
MW134.14 g/mol
LogP-1.15
Rot. Bonds

About 1,5-dihydroimidazo[4,5-e][1,4]diazepine

1,5-dihydroimidazo[4,5-e][1,4]diazepine (PubChem CID 91462181) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,5-dihydroimidazo[4,5-e][1,4]diazepine.

Molecular Properties

Compound Name1,5-dihydroimidazo[4,5-e][1,4]diazepine
PubChem CID91462181
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name1,5-dihydroimidazo[4,5-e][1,4]diazepine
SMILESC1=NC=c2[nH]cnc2=NC1
InChIInChI=1S/C6H6N4/c1-2-8-6-5(3-7-1)9-4-10-6/h1,3-4H,2H2,(H,8,9,10)
InChIKeyMVVYTMHBHCBQDE-UHFFFAOYSA-N
XLogP-1.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-Dihydroimidazo[4,5-d][1,3]diazepine
CID 20346529
3,7-Dihydroimidazo[4,5-e][1,3]diazepine
CID 57495515
2,8,10-Triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 123736072
2,5,8,10-Tetrazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 129034702
1,5-Dihydroimidazo[4,5-e][1,2,4]triazepine
CID 136503629
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 137030202
5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine
CID 142608902
5-methyl-1H-imidazo[4,5-e][1,4]diazepine-5-thiol
CID 142608910
(5E)-N-methyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 155099160
N-ethenyl-5-methylidene-1H-imidazol-4-imine
CID 169113379
N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide
CID 176528668
[[5-(aminomethylidene)-1H-imidazol-4-ylidene]amino]methylidenenickel
CID 137185557

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroimidazo[4,5-e][1,4]diazepine?
The IUPAC name of 1,5-dihydroimidazo[4,5-e][1,4]diazepine (CID 91462181) is 1,5-dihydroimidazo[4,5-e][1,4]diazepine.
What is the SMILES notation for 1,5-dihydroimidazo[4,5-e][1,4]diazepine?
The canonical SMILES for 1,5-dihydroimidazo[4,5-e][1,4]diazepine is C1=NC=c2[nH]cnc2=NC1.
What is the InChIKey of 1,5-dihydroimidazo[4,5-e][1,4]diazepine?
The InChIKey is MVVYTMHBHCBQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-2-8-6-5(3-7-1)9-4-10-6/h1,3-4H,2H2,(H,8,9,10).
What are the key properties of 1,5-dihydroimidazo[4,5-e][1,4]diazepine?
1,5-dihydroimidazo[4,5-e][1,4]diazepine has a molecular weight of 134.14 g/mol, XLogP of -1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroimidazo[4,5-e][1,4]diazepine is sourced from PubChem (CID 91462181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).