[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone

C9H14N4O — CID 103512267

IUPAC[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CC(CN)C1
InChIInChI=1S/C9H14N4O/c1-12-6-11-3-8(12)9(14)13-4-7(2-10)5-13/h3,6-7H,2,4-5,10H2,1H3
InChIKeyBMSPOHJVOQWTFE-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.55
Rot. Bonds2

About [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone

[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103512267) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103512267
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CC(CN)C1
InChIInChI=1S/C9H14N4O/c1-12-6-11-3-8(12)9(14)13-4-7(2-10)5-13/h3,6-7H,2,4-5,10H2,1H3
InChIKeyBMSPOHJVOQWTFE-UHFFFAOYSA-N
XLogP-0.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 107160135
(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512261
(3-methylimidazol-4-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 103511608
(3-methylimidazol-4-yl)-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119035642
(3-amino-3-cyclopropylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512264
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511576

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103512267) is [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CC(CN)C1.
What is the InChIKey of [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is BMSPOHJVOQWTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-6-11-3-8(12)9(14)13-4-7(2-10)5-13/h3,6-7H,2,4-5,10H2,1H3.
What are the key properties of [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103512267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).