5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine

C7H9N5 — CID 142608902

IUPAC5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine
SMILESCC1(N)C=NC=c2[nH]cnc2=N1
InChIInChI=1S/C7H9N5/c1-7(8)3-9-2-5-6(12-7)11-4-10-5/h2-4H,8H2,1H3,(H,10,11,12)
InChIKeyOKELQDCISVUCJN-UHFFFAOYSA-N
MW163.18 g/mol
LogP-1.47
Rot. Bonds

About 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine

5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine (PubChem CID 142608902) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine.

Molecular Properties

Compound Name5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine
PubChem CID142608902
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine
SMILESCC1(N)C=NC=c2[nH]cnc2=N1
InChIInChI=1S/C7H9N5/c1-7(8)3-9-2-5-6(12-7)11-4-10-5/h2-4H,8H2,1H3,(H,10,11,12)
InChIKeyOKELQDCISVUCJN-UHFFFAOYSA-N
XLogP-1.47
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-Dihydroimidazo[4,5-e][1,4]diazepine
CID 91462181
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]diazepine-5-thiol
CID 142608910
N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide
CID 147400047
(5E)-N-methyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 155099160
2,5-Dimethyl-1,5-dihydroimidazo[4,5-e][1,4]diazepine
CID 156465353
N'-ethenyl-N-(5-methylideneimidazol-4-yl)methanimidamide
CID 176528668
N-ethyl-5-methylidene-1H-imidazol-4-imine
CID 145445281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine?
The IUPAC name of 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine (CID 142608902) is 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine.
What is the SMILES notation for 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine?
The canonical SMILES for 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine is CC1(N)C=NC=c2[nH]cnc2=N1.
What is the InChIKey of 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine?
The InChIKey is OKELQDCISVUCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-7(8)3-9-2-5-6(12-7)11-4-10-5/h2-4H,8H2,1H3,(H,10,11,12).
What are the key properties of 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine?
5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine has a molecular weight of 163.18 g/mol, XLogP of -1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine is sourced from PubChem (CID 142608902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).