2-nitroso-4,5-dihydro-1H-imidazole

C3H5N3O — CID 57057923

IUPAC2-nitroso-4,5-dihydro-1H-imidazole
SMILESO=NC1=NCCN1
InChIInChI=1S/C3H5N3O/c7-6-3-4-1-2-5-3/h1-2H2,(H,4,5)
InChIKeyGZCZMJPGDAGGIL-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.29
Rot. Bonds

About 2-nitroso-4,5-dihydro-1H-imidazole

2-nitroso-4,5-dihydro-1H-imidazole (PubChem CID 57057923) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 2-nitroso-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-nitroso-4,5-dihydro-1H-imidazole
PubChem CID57057923
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name2-nitroso-4,5-dihydro-1H-imidazole
SMILESO=NC1=NCCN1
InChIInChI=1S/C3H5N3O/c7-6-3-4-1-2-5-3/h1-2H2,(H,4,5)
InChIKeyGZCZMJPGDAGGIL-UHFFFAOYSA-N
XLogP-0.29
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide
CID 91806366
2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54602799
2-iodo-4,5-dihydro-1H-imidazole
CID 14627583
2-methyl-4,5-dihydro-1H-imidazole
CID 10798
2-(1,4,5,6-tetrahydropyrimidin-2-yl)guanidine
CID 55291531
(E)-4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-isocyanatocyclohexa-2,4-dien-1-imine
CID 134871170
4,5-dihydro-1H-imidazole-2-carboxamide
CID 1382042
2-methyl-4,5-dihydro-1H-imidazole;phosphoric acid
CID 154961544
2-(dimethoxymethyl)-4,5-dihydro-1H-imidazole
CID 55286461
benzene;2-cyclopropyl-4,5-dihydro-1H-imidazole
CID 145110900
2-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-disulfonic acid
CID 141259723
acetic acid;4,5-dihydro-1H-imidazol-2-amine
CID 174455956

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-nitroso-4,5-dihydro-1H-imidazole (CID 57057923) is 2-nitroso-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-nitroso-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-nitroso-4,5-dihydro-1H-imidazole is O=NC1=NCCN1.
What is the InChIKey of 2-nitroso-4,5-dihydro-1H-imidazole?
The InChIKey is GZCZMJPGDAGGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c7-6-3-4-1-2-5-3/h1-2H2,(H,4,5).
What are the key properties of 2-nitroso-4,5-dihydro-1H-imidazole?
2-nitroso-4,5-dihydro-1H-imidazole has a molecular weight of 99.09 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57057923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).