4-amino-1,2-dihydroimidazole-3-carbaldehyde

C4H7N3O — CID 174467063

IUPAC4-amino-1,2-dihydroimidazole-3-carbaldehyde
SMILESNC1=CNCN1C=O
InChIInChI=1S/C4H7N3O/c5-4-1-6-2-7(4)3-8/h1,3,6H,2,5H2
InChIKeyKBHFTLNAYJGBIA-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.24
Rot. Bonds1

About 4-amino-1,2-dihydroimidazole-3-carbaldehyde

4-amino-1,2-dihydroimidazole-3-carbaldehyde (PubChem CID 174467063) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-amino-1,2-dihydroimidazole-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-1,2-dihydroimidazole-3-carbaldehyde
PubChem CID174467063
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name4-amino-1,2-dihydroimidazole-3-carbaldehyde
SMILESNC1=CNCN1C=O
InChIInChI=1S/C4H7N3O/c5-4-1-6-2-7(4)3-8/h1,3,6H,2,5H2
InChIKeyKBHFTLNAYJGBIA-UHFFFAOYSA-N
XLogP-1.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2,3-dihydro-1H-imidazol-2-one
CID 566589
4-Amino-1H-imidazol-2(3H)-one
CID 19754593
Formyl-4-imidazolin-2-one trihydrate
CID 129660577
3-Formyl-2-methyl-1h-imidazolium iodide
CID 172645927
2-Oxo-2,3-dihydro-1H-imidazole-1-carboxamide
CID 13320621
1,2-Dihydroimidazole-3-carbaldehyde
CID 19764586
2-oxo-1H-imidazole-3-carbaldehyde
CID 20526803
2-Hydroxy-N-methyl-1H-imidazole-1-carboxamide
CID 21453092
Bis(1,2-dihydroimidazol-3-yl)methanone
CID 21571876
1,3-Dimethyl-4-(methylamino)imidazol-2-one
CID 53716779
3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one
CID 54027815
3-ethenyl-1H-imidazol-2-one
CID 54035677

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-dihydroimidazole-3-carbaldehyde?
The IUPAC name of 4-amino-1,2-dihydroimidazole-3-carbaldehyde (CID 174467063) is 4-amino-1,2-dihydroimidazole-3-carbaldehyde.
What is the SMILES notation for 4-amino-1,2-dihydroimidazole-3-carbaldehyde?
The canonical SMILES for 4-amino-1,2-dihydroimidazole-3-carbaldehyde is NC1=CNCN1C=O.
What is the InChIKey of 4-amino-1,2-dihydroimidazole-3-carbaldehyde?
The InChIKey is KBHFTLNAYJGBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-4-1-6-2-7(4)3-8/h1,3,6H,2,5H2.
What are the key properties of 4-amino-1,2-dihydroimidazole-3-carbaldehyde?
4-amino-1,2-dihydroimidazole-3-carbaldehyde has a molecular weight of 113.12 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-dihydroimidazole-3-carbaldehyde is sourced from PubChem (CID 174467063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).