[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine

C12H14N4O — CID 116882740

IUPAC[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2ncc(-c3ccncc3)[nH]2)COC1
InChIInChI=1S/C12H14N4O/c13-6-12(7-17-8-12)11-15-5-10(16-11)9-1-3-14-4-2-9/h1-5H,6-8,13H2,(H,15,16)
InChIKeyWMOLBCFSUNDPMN-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.70
Rot. Bonds3

About [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine

[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine (PubChem CID 116882740) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
PubChem CID116882740
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2ncc(-c3ccncc3)[nH]2)COC1
InChIInChI=1S/C12H14N4O/c13-6-12(7-17-8-12)11-15-5-10(16-11)9-1-3-14-4-2-9/h1-5H,6-8,13H2,(H,15,16)
InChIKeyWMOLBCFSUNDPMN-UHFFFAOYSA-N
XLogP0.70
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-phenyl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882707
[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882710
[3-(5-pyridin-2-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882738
[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882734
3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetane-3-carbonitrile
CID 116882579
[1-(5-pyridin-4-yl-1H-imidazol-2-yl)cyclopropyl]methanol
CID 116882053
[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882744
(3-pyridin-4-yloxetan-3-yl)methanamine
CID 83480468
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882665
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882683
3-[5-(4-bromophenyl)-1H-imidazol-2-yl]oxetane-3-carboxylic acid
CID 116882604

Frequently Asked Questions

What is the IUPAC name of [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine (CID 116882740) is [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine is NCC1(c2ncc(-c3ccncc3)[nH]2)COC1.
What is the InChIKey of [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine?
The InChIKey is WMOLBCFSUNDPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-6-12(7-17-8-12)11-15-5-10(16-11)9-1-3-14-4-2-9/h1-5H,6-8,13H2,(H,15,16).
What are the key properties of [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine?
[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine has a molecular weight of 230.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116882740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).