1,5-dihydroimidazo[4,5-e][1,2,4]triazepine

C5H5N5 — CID 136503629

IUPAC1,5-dihydroimidazo[4,5-e][1,2,4]triazepine
SMILESC1=c2[nH]cnc2=NCN=N1
InChIInChI=1S/C5H5N5/c1-4-5(7-2-6-4)8-3-10-9-1/h1-2H,3H2,(H,6,7,8)
InChIKeyDQZQHGGTXCKPOF-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.81
Rot. Bonds

About 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine

1,5-dihydroimidazo[4,5-e][1,2,4]triazepine (PubChem CID 136503629) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine.

Molecular Properties

Compound Name1,5-dihydroimidazo[4,5-e][1,2,4]triazepine
PubChem CID136503629
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name1,5-dihydroimidazo[4,5-e][1,2,4]triazepine
SMILESC1=c2[nH]cnc2=NCN=N1
InChIInChI=1S/C5H5N5/c1-4-5(7-2-6-4)8-3-10-9-1/h1-2H,3H2,(H,6,7,8)
InChIKeyDQZQHGGTXCKPOF-UHFFFAOYSA-N
XLogP-0.81
TPSA65.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1,5-Dihydroimidazo[4,5-e][1,4]diazepine
CID 91462181
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
(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
(5E)-N-methyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 155099160
N-ethenyl-5-methylidene-1H-imidazol-4-imine
CID 169113379
2,3,8,10-Tetrazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 176523119
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][1,2,4]triazepine?
The IUPAC name of 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine (CID 136503629) is 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine.
What is the SMILES notation for 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine?
The canonical SMILES for 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine is C1=c2[nH]cnc2=NCN=N1.
What is the InChIKey of 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine?
The InChIKey is DQZQHGGTXCKPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-4-5(7-2-6-4)8-3-10-9-1/h1-2H,3H2,(H,6,7,8).
What are the key properties of 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine?
1,5-dihydroimidazo[4,5-e][1,2,4]triazepine has a molecular weight of 135.13 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroimidazo[4,5-e][1,2,4]triazepine is sourced from PubChem (CID 136503629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).