4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione

C12H14N6O7 — CID 162908972

IUPAC4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione
SMILESO=c1nc2n(CC(O)C(O)C(O)CO)c3[nH]c(=O)[nH]c3nc-2c(=O)[nH]1
InChIInChI=1S/C12H14N6O7/c19-2-4(21)6(22)3(20)1-18-8-5(10(23)17-12(25)15-8)13-7-9(18)16-11(24)14-7/h3-4,6,19-22H,1-2H2,(H2,14,16,24)(H,17,23,25)
InChIKeyMPELQCKXFOWBCQ-UHFFFAOYSA-N
MW354.28 g/mol
LogP-4.32
Rot. Bonds5

About 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione

4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione (PubChem CID 162908972) has the molecular formula C12H14N6O7 and a molecular weight of 354.28 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione.

Molecular Properties

Compound Name4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione
PubChem CID162908972
Molecular FormulaC12H14N6O7
Molecular Weight354.28 g/mol
Exact Mass354.09
IUPAC Name4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione
SMILESO=c1nc2n(CC(O)C(O)C(O)CO)c3[nH]c(=O)[nH]c3nc-2c(=O)[nH]1
InChIInChI=1S/C12H14N6O7/c19-2-4(21)6(22)3(20)1-18-8-5(10(23)17-12(25)15-8)13-7-9(18)16-11(24)14-7/h3-4,6,19-22H,1-2H2,(H2,14,16,24)(H,17,23,25)
InChIKeyMPELQCKXFOWBCQ-UHFFFAOYSA-N
XLogP-4.32
TPSA210.21 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.28
LogP ≤ 5-4.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione?
The IUPAC name of 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione (CID 162908972) is 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione.
What is the SMILES notation for 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione?
The canonical SMILES for 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione is O=c1nc2n(CC(O)C(O)C(O)CO)c3[nH]c(=O)[nH]c3nc-2c(=O)[nH]1.
What is the InChIKey of 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione?
The InChIKey is MPELQCKXFOWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O7/c19-2-4(21)6(22)3(20)1-18-8-5(10(23)17-12(25)15-8)13-7-9(18)16-11(24)14-7/h3-4,6,19-22H,1-2H2,(H2,14,16,24)(H,17,23,25).
What are the key properties of 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione?
4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione has a molecular weight of 354.28 g/mol, XLogP of -4.32, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrahydroxypentyl)-1,3-dihydroimidazo[4,5-g]pteridine-2,6,8-trione is sourced from PubChem (CID 162908972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).