6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one

C7H9N5O2 — CID 163535911

IUPAC6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one
SMILESCn1cnc2c1C(=O)NC(N)=NC2O
InChIInChI=1S/C7H9N5O2/c1-12-2-9-3-4(12)6(14)11-7(8)10-5(3)13/h2,5,13H,1H3,(H3,8,10,11,14)
InChIKeyDWXYMURGABOKKA-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.53
Rot. Bonds

About 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one

6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one (PubChem CID 163535911) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one.

Molecular Properties

Compound Name6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one
PubChem CID163535911
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one
SMILESCn1cnc2c1C(=O)NC(N)=NC2O
InChIInChI=1S/C7H9N5O2/c1-12-2-9-3-4(12)6(14)11-7(8)10-5(3)13/h2,5,13H,1H3,(H3,8,10,11,14)
InChIKeyDWXYMURGABOKKA-UHFFFAOYSA-N
XLogP-1.53
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one?
The IUPAC name of 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one (CID 163535911) is 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one.
What is the SMILES notation for 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one?
The canonical SMILES for 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one is Cn1cnc2c1C(=O)NC(N)=NC2O.
What is the InChIKey of 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one?
The InChIKey is DWXYMURGABOKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-12-2-9-3-4(12)6(14)11-7(8)10-5(3)13/h2,5,13H,1H3,(H3,8,10,11,14).
What are the key properties of 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one?
6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one has a molecular weight of 195.18 g/mol, XLogP of -1.53, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one is sourced from PubChem (CID 163535911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).