5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

C9H14N4O2 — CID 118613901

IUPAC5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCC(C)n1c(C(N)=O)nc2c1CN(O)C2
InChIInChI=1S/C9H14N4O2/c1-5(2)13-7-4-12(15)3-6(7)11-9(13)8(10)14/h5,15H,3-4H2,1-2H3,(H2,10,14)
InChIKeyLJPATJVOFQLDAD-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.27
Rot. Bonds2

About 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613901) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613901
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCC(C)n1c(C(N)=O)nc2c1CN(O)C2
InChIInChI=1S/C9H14N4O2/c1-5(2)13-7-4-12(15)3-6(7)11-9(13)8(10)14/h5,15H,3-4H2,1-2H3,(H2,10,14)
InChIKeyLJPATJVOFQLDAD-UHFFFAOYSA-N
XLogP0.27
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613901) is 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CC(C)n1c(C(N)=O)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is LJPATJVOFQLDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5(2)13-7-4-12(15)3-6(7)11-9(13)8(10)14/h5,15H,3-4H2,1-2H3,(H2,10,14).
What are the key properties of 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 210.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).