1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one

C11H14N4O — CID 80583349

IUPAC1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cccnc2N)c1=O
InChIInChI=1S/C11H14N4O/c1-2-14-6-7-15(11(14)16)8-9-4-3-5-13-10(9)12/h3-7H,2,8H2,1H3,(H2,12,13)
InChIKeyXJTQMDZTRZZJKC-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.70
Rot. Bonds3

About 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one

1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one (PubChem CID 80583349) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one
PubChem CID80583349
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(Cc2cccnc2N)c1=O
InChIInChI=1S/C11H14N4O/c1-2-14-6-7-15(11(14)16)8-9-4-3-5-13-10(9)12/h3-7H,2,8H2,1H3,(H2,12,13)
InChIKeyXJTQMDZTRZZJKC-UHFFFAOYSA-N
XLogP0.70
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one (CID 80583349) is 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one is CCn1ccn(Cc2cccnc2N)c1=O.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one?
The InChIKey is XJTQMDZTRZZJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-14-6-7-15(11(14)16)8-9-4-3-5-13-10(9)12/h3-7H,2,8H2,1H3,(H2,12,13).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one?
1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80583349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).