1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone

C8H12N4O — CID 130585938

IUPAC1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
SMILESNC1CN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C8H12N4O/c9-7-3-12(4-7)8(13)5-11-2-1-10-6-11/h1-2,6-7H,3-5,9H2
InChIKeyBRRCKFHREDVSAA-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.95
Rot. Bonds2

About 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone

1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone (PubChem CID 130585938) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
PubChem CID130585938
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone
SMILESNC1CN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C8H12N4O/c9-7-3-12(4-7)8(13)5-11-2-1-10-6-11/h1-2,6-7H,3-5,9H2
InChIKeyBRRCKFHREDVSAA-UHFFFAOYSA-N
XLogP-0.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-acetyl-4-(2-imidazol-1-ylacetyl)-1,4-diazepane-6-carboxamide
CID 125003753
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 144507524
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
N-[(3S,4R)-1-(2-imidazol-1-ylacetyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70739288
1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 110146632
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
2-(cyclopropylmethyl)-7-(2-imidazol-1-ylacetyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155880393
2-imidazol-1-yl-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124983601
2-imidazol-1-yl-1-(oxan-4-yl)ethanone
CID 130863688
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
2-imidazol-1-yl-1-[6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 127245900

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone (CID 130585938) is 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone is NC1CN(C(=O)Cn2ccnc2)C1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone?
The InChIKey is BRRCKFHREDVSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7-3-12(4-7)8(13)5-11-2-1-10-6-11/h1-2,6-7H,3-5,9H2.
What are the key properties of 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone?
1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone has a molecular weight of 180.21 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazetidin-1-yl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 130585938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).