3-methyl-2H-imidazole-1,2,4-tricarbaldehyde

C7H8N2O3 — CID 57189768

IUPAC3-methyl-2H-imidazole-1,2,4-tricarbaldehyde
SMILESCN1C(C=O)=CN(C=O)C1C=O
InChIInChI=1S/C7H8N2O3/c1-8-6(3-10)2-9(5-12)7(8)4-11/h2-5,7H,1H3
InChIKeyRBXKZKHEHBDKFM-UHFFFAOYSA-N
MW168.15 g/mol
LogP-1.04
Rot. Bonds3

About 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde

3-methyl-2H-imidazole-1,2,4-tricarbaldehyde (PubChem CID 57189768) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde.

Molecular Properties

Compound Name3-methyl-2H-imidazole-1,2,4-tricarbaldehyde
PubChem CID57189768
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-methyl-2H-imidazole-1,2,4-tricarbaldehyde
SMILESCN1C(C=O)=CN(C=O)C1C=O
InChIInChI=1S/C7H8N2O3/c1-8-6(3-10)2-9(5-12)7(8)4-11/h2-5,7H,1H3
InChIKeyRBXKZKHEHBDKFM-UHFFFAOYSA-N
XLogP-1.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 45087282
1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
CID 23026362
2-(dimethylamino)-1,3-dimethyl-2H-imidazole-4-carbaldehyde
CID 87448690
3-methyl-2-oxo-1H-imidazole-5-carbaldehyde
CID 148647274
3-Ethynyl-1-methyl-2-oxoimidazole-4-carbaldehyde
CID 163538186
2-oxo-3-propan-2-yl-1H-imidazole-4-carbaldehyde
CID 82416667
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetaldehyde
CID 82418256
1,3-Dimethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 83681681
2-(3,5-Dimethyl-2-oxoimidazol-1-yl)acetaldehyde
CID 112545269
N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]-N-methylformamide
CID 133625893

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde?
The IUPAC name of 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde (CID 57189768) is 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde.
What is the SMILES notation for 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde?
The canonical SMILES for 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde is CN1C(C=O)=CN(C=O)C1C=O.
What is the InChIKey of 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde?
The InChIKey is RBXKZKHEHBDKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-8-6(3-10)2-9(5-12)7(8)4-11/h2-5,7H,1H3.
What are the key properties of 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde?
3-methyl-2H-imidazole-1,2,4-tricarbaldehyde has a molecular weight of 168.15 g/mol, XLogP of -1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-imidazole-1,2,4-tricarbaldehyde is sourced from PubChem (CID 57189768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).