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

C7H10N4O2 — CID 118613904

IUPAC5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCn1c(C(N)=O)nc2c1CN(O)C2
InChIInChI=1S/C7H10N4O2/c1-10-5-3-11(13)2-4(5)9-7(10)6(8)12/h13H,2-3H2,1H3,(H2,8,12)
InChIKeyWRKFONHPWWDSRI-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.78
Rot. Bonds1

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

5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613904) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613904
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCn1c(C(N)=O)nc2c1CN(O)C2
InChIInChI=1S/C7H10N4O2/c1-10-5-3-11(13)2-4(5)9-7(10)6(8)12/h13H,2-3H2,1H3,(H2,8,12)
InChIKeyWRKFONHPWWDSRI-UHFFFAOYSA-N
XLogP-0.78
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613904) is 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is Cn1c(C(N)=O)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is WRKFONHPWWDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10-5-3-11(13)2-4(5)9-7(10)6(8)12/h13H,2-3H2,1H3,(H2,8,12).
What are the key properties of 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).