3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one

C4H7N3O2 — CID 54027815

IUPAC3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one
SMILESNCn1c(O)c[nH]c1=O
InChIInChI=1S/C4H7N3O2/c5-2-7-3(8)1-6-4(7)9/h1,8H,2,5H2,(H,6,9)
InChIKeyLDLPUISJNRIZLJ-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.20
Rot. Bonds1

About 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one

3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one (PubChem CID 54027815) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one
PubChem CID54027815
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one
SMILESNCn1c(O)c[nH]c1=O
InChIInChI=1S/C4H7N3O2/c5-2-7-3(8)1-6-4(7)9/h1,8H,2,5H2,(H,6,9)
InChIKeyLDLPUISJNRIZLJ-UHFFFAOYSA-N
XLogP-1.20
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one (CID 54027815) is 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one is NCn1c(O)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one?
The InChIKey is LDLPUISJNRIZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-2-7-3(8)1-6-4(7)9/h1,8H,2,5H2,(H,6,9).
What are the key properties of 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one?
3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one has a molecular weight of 129.12 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 54027815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).