6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole

C5H4N4O2 — CID 141489053

IUPAC6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole
SMILESO=[N+]([O-])c1c[nH]c2c1=NCN=2
InChIInChI=1S/C5H4N4O2/c10-9(11)3-1-6-5-4(3)7-2-8-5/h1H,2H2,(H,6,8)
InChIKeyMTYSGXBNEWIWBN-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.87
Rot. Bonds1

About 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole

6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole (PubChem CID 141489053) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole.

Molecular Properties

Compound Name6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole
PubChem CID141489053
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole
SMILESO=[N+]([O-])c1c[nH]c2c1=NCN=2
InChIInChI=1S/C5H4N4O2/c10-9(11)3-1-6-5-4(3)7-2-8-5/h1H,2H2,(H,6,8)
InChIKeyMTYSGXBNEWIWBN-UHFFFAOYSA-N
XLogP-0.87
TPSA83.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
CID 13302381
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
2-chloro-5-nitro-1H-pyridine-4-thione
CID 150605541
4-fluoro-5-nitro-1H-pyridin-2-one
CID 118833070
3-methyl-4-nitro-1H-pyrrole-2-carbaldehyde
CID 87813277
4-nitro-2H-1,2-oxazol-5-one
CID 10878387
ethane;3-methyl-5-nitro-1H-pyrimidine-2,4-dione
CID 170584721
2-hydroxy-4-nitro-1H-pyrrole-3-carbaldehyde
CID 135968012
6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
CID 175866851
4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine
CID 53412895
5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
CID 53412730
7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 53413145

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole?
The IUPAC name of 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole (CID 141489053) is 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole.
What is the SMILES notation for 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole?
The canonical SMILES for 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole is O=[N+]([O-])c1c[nH]c2c1=NCN=2.
What is the InChIKey of 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole?
The InChIKey is MTYSGXBNEWIWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-9(11)3-1-6-5-4(3)7-2-8-5/h1H,2H2,(H,6,8).
What are the key properties of 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole?
6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole has a molecular weight of 152.11 g/mol, XLogP of -0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,4-dihydropyrrolo[2,3-d]imidazole is sourced from PubChem (CID 141489053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).