5-(nitrosomethyl)-1H-imidazol-4-ol

C4H5N3O2 — CID 126578939

IUPAC5-(nitrosomethyl)-1H-imidazol-4-ol
SMILESO=NCc1[nH]cnc1O
InChIInChI=1S/C4H5N3O2/c8-4-3(1-7-9)5-2-6-4/h2,8H,1H2,(H,5,6)
InChIKeyKGGWMMNGBMKYCT-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.38
Rot. Bonds2

About 5-(nitrosomethyl)-1H-imidazol-4-ol

5-(nitrosomethyl)-1H-imidazol-4-ol (PubChem CID 126578939) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 5-(nitrosomethyl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-(nitrosomethyl)-1H-imidazol-4-ol
PubChem CID126578939
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name5-(nitrosomethyl)-1H-imidazol-4-ol
SMILESO=NCc1[nH]cnc1O
InChIInChI=1S/C4H5N3O2/c8-4-3(1-7-9)5-2-6-4/h2,8H,1H2,(H,5,6)
InChIKeyKGGWMMNGBMKYCT-UHFFFAOYSA-N
XLogP0.38
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(nitrosomethyl)-1H-imidazol-4-ol?
The IUPAC name of 5-(nitrosomethyl)-1H-imidazol-4-ol (CID 126578939) is 5-(nitrosomethyl)-1H-imidazol-4-ol.
What is the SMILES notation for 5-(nitrosomethyl)-1H-imidazol-4-ol?
The canonical SMILES for 5-(nitrosomethyl)-1H-imidazol-4-ol is O=NCc1[nH]cnc1O.
What is the InChIKey of 5-(nitrosomethyl)-1H-imidazol-4-ol?
The InChIKey is KGGWMMNGBMKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c8-4-3(1-7-9)5-2-6-4/h2,8H,1H2,(H,5,6).
What are the key properties of 5-(nitrosomethyl)-1H-imidazol-4-ol?
5-(nitrosomethyl)-1H-imidazol-4-ol has a molecular weight of 127.10 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(nitrosomethyl)-1H-imidazol-4-ol is sourced from PubChem (CID 126578939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).