4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one

C7H10N4O — CID 20872210

IUPAC4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
SMILESCN1CCNC(=O)c2[nH]cnc21
InChIInChI=1S/C7H10N4O/c1-11-3-2-8-7(12)5-6(11)10-4-9-5/h4H,2-3H2,1H3,(H,8,12)(H,9,10)
InChIKeyOEXJYSVHISHLAJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.41
Rot. Bonds

About 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one

4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one (PubChem CID 20872210) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one.

Molecular Properties

Compound Name4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
PubChem CID20872210
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
SMILESCN1CCNC(=O)c2[nH]cnc21
InChIInChI=1S/C7H10N4O/c1-11-3-2-8-7(12)5-6(11)10-4-9-5/h4H,2-3H2,1H3,(H,8,12)(H,9,10)
InChIKeyOEXJYSVHISHLAJ-UHFFFAOYSA-N
XLogP-0.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one?
The IUPAC name of 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one (CID 20872210) is 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one.
What is the SMILES notation for 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one?
The canonical SMILES for 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one is CN1CCNC(=O)c2[nH]cnc21.
What is the InChIKey of 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one?
The InChIKey is OEXJYSVHISHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11-3-2-8-7(12)5-6(11)10-4-9-5/h4H,2-3H2,1H3,(H,8,12)(H,9,10).
What are the key properties of 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one?
4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one has a molecular weight of 166.18 g/mol, XLogP of -0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one is sourced from PubChem (CID 20872210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).