(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone

C11H16N4O — CID 103512264

IUPAC(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CC(N)(C2CC2)C1
InChIInChI=1S/C11H16N4O/c1-14-7-13-4-9(14)10(16)15-5-11(12,6-15)8-2-3-8/h4,7-8H,2-3,5-6,12H2,1H3
InChIKeyLJGYKFWNYWRBIE-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.02
Rot. Bonds2

About (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone

(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 103512264) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID103512264
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CC(N)(C2CC2)C1
InChIInChI=1S/C11H16N4O/c1-14-7-13-4-9(14)10(16)15-5-11(12,6-15)8-2-3-8/h4,7-8H,2-3,5-6,12H2,1H3
InChIKeyLJGYKFWNYWRBIE-UHFFFAOYSA-N
XLogP-0.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512261
(3-amino-3-cyclopropylazetidin-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66119791
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511374
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 107160135
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone (CID 103512264) is (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CC(N)(C2CC2)C1.
What is the InChIKey of (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is LJGYKFWNYWRBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-7-13-4-9(14)10(16)15-5-11(12,6-15)8-2-3-8/h4,7-8H,2-3,5-6,12H2,1H3.
What are the key properties of (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone?
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 220.28 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103512264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).