6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one

C8H11N5O2 — CID 10727104

IUPAC6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one
SMILESNC1=NCc2c(ncn2CCO)C(=O)N1
InChIInChI=1S/C8H11N5O2/c9-8-10-3-5-6(7(15)12-8)11-4-13(5)1-2-14/h4,14H,1-3H2,(H3,9,10,12,15)
InChIKeyHYZQKYRVTPRTLZ-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.57
Rot. Bonds2

About 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one

6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one (PubChem CID 10727104) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one.

Molecular Properties

Compound Name6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one
PubChem CID10727104
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one
SMILESNC1=NCc2c(ncn2CCO)C(=O)N1
InChIInChI=1S/C8H11N5O2/c9-8-10-3-5-6(7(15)12-8)11-4-13(5)1-2-14/h4,14H,1-3H2,(H3,9,10,12,15)
InChIKeyHYZQKYRVTPRTLZ-UHFFFAOYSA-N
XLogP-1.57
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one?
The IUPAC name of 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one (CID 10727104) is 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one.
What is the SMILES notation for 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one?
The canonical SMILES for 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one is NC1=NCc2c(ncn2CCO)C(=O)N1.
What is the InChIKey of 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one?
The InChIKey is HYZQKYRVTPRTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-8-10-3-5-6(7(15)12-8)11-4-13(5)1-2-14/h4,14H,1-3H2,(H3,9,10,12,15).
What are the key properties of 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one?
6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one has a molecular weight of 209.21 g/mol, XLogP of -1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-hydroxyethyl)-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one is sourced from PubChem (CID 10727104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).