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

C10H16N4O — CID 103512261

IUPAC(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCCC1(N)CN(C(=O)c2cncn2C)C1
InChIInChI=1S/C10H16N4O/c1-3-10(11)5-14(6-10)9(15)8-4-12-7-13(8)2/h4,7H,3,5-6,11H2,1-2H3
InChIKeyFWUSHHONYSBINW-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.02
Rot. Bonds2

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

(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 103512261) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID103512261
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCCC1(N)CN(C(=O)c2cncn2C)C1
InChIInChI=1S/C10H16N4O/c1-3-10(11)5-14(6-10)9(15)8-4-12-7-13(8)2/h4,7H,3,5-6,11H2,1-2H3
InChIKeyFWUSHHONYSBINW-UHFFFAOYSA-N
XLogP-0.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 107160135
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511374
(3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone
CID 104672866
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
CID 97408794
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone (CID 103512261) is (3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone is CCC1(N)CN(C(=O)c2cncn2C)C1.
What is the InChIKey of (3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is FWUSHHONYSBINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-10(11)5-14(6-10)9(15)8-4-12-7-13(8)2/h4,7H,3,5-6,11H2,1-2H3.
What are the key properties of (3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone?
(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 208.26 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-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103512261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).