5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide

C6H8N4O2 — CID 118613856

IUPAC5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide
SMILESNC(=O)c1nc2c([nH]1)CN(O)C2
InChIInChI=1S/C6H8N4O2/c7-5(11)6-8-3-1-10(12)2-4(3)9-6/h12H,1-2H2,(H2,7,11)(H,8,9)
InChIKeyKPNHMQPLSVFWDE-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.79
Rot. Bonds1

About 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide

5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613856) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613856
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide
SMILESNC(=O)c1nc2c([nH]1)CN(O)C2
InChIInChI=1S/C6H8N4O2/c7-5(11)6-8-3-1-10(12)2-4(3)9-6/h12H,1-2H2,(H2,7,11)(H,8,9)
InChIKeyKPNHMQPLSVFWDE-UHFFFAOYSA-N
XLogP-0.79
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613856) is 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide is NC(=O)c1nc2c([nH]1)CN(O)C2.
What is the InChIKey of 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is KPNHMQPLSVFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-5(11)6-8-3-1-10(12)2-4(3)9-6/h12H,1-2H2,(H2,7,11)(H,8,9).
What are the key properties of 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide?
5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 168.16 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).