5-methyl-4-nitroso-1H-imidazole

C4H5N3O — CID 88567736

IUPAC5-methyl-4-nitroso-1H-imidazole
SMILESCc1[nH]cnc1N=O
InChIInChI=1S/C4H5N3O/c1-3-4(7-8)6-2-5-3/h2H,1H3,(H,5,6)
InChIKeyCVNQTLVRTXTCDR-UHFFFAOYSA-N
MW111.10 g/mol
LogP1.12
Rot. Bonds1

About 5-methyl-4-nitroso-1H-imidazole

5-methyl-4-nitroso-1H-imidazole (PubChem CID 88567736) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 5-methyl-4-nitroso-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-nitroso-1H-imidazole
PubChem CID88567736
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name5-methyl-4-nitroso-1H-imidazole
SMILESCc1[nH]cnc1N=O
InChIInChI=1S/C4H5N3O/c1-3-4(7-8)6-2-5-3/h2H,1H3,(H,5,6)
InChIKeyCVNQTLVRTXTCDR-UHFFFAOYSA-N
XLogP1.12
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitroso-1H-imidazole?
The IUPAC name of 5-methyl-4-nitroso-1H-imidazole (CID 88567736) is 5-methyl-4-nitroso-1H-imidazole.
What is the SMILES notation for 5-methyl-4-nitroso-1H-imidazole?
The canonical SMILES for 5-methyl-4-nitroso-1H-imidazole is Cc1[nH]cnc1N=O.
What is the InChIKey of 5-methyl-4-nitroso-1H-imidazole?
The InChIKey is CVNQTLVRTXTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c1-3-4(7-8)6-2-5-3/h2H,1H3,(H,5,6).
What are the key properties of 5-methyl-4-nitroso-1H-imidazole?
5-methyl-4-nitroso-1H-imidazole has a molecular weight of 111.10 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitroso-1H-imidazole is sourced from PubChem (CID 88567736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).