[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone

C16H18N4O2 — CID 154755631

IUPAC[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C16H18N4O2/c1-22-15-5-3-2-4-12(15)13-8-14(13)16(21)19-9-11(10-19)20-7-6-17-18-20/h2-7,11,13-14H,8-10H2,1H3/t13-,14+/m0/s1
InChIKeyYPEXATBROKQFSM-UONOGXRCSA-N
MW298.35 g/mol
LogP1.47
Rot. Bonds4

About [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone

[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 154755631) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID154755631
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C16H18N4O2/c1-22-15-5-3-2-4-12(15)13-8-14(13)16(21)19-9-11(10-19)20-7-6-17-18-20/h2-7,11,13-14H,8-10H2,1H3/t13-,14+/m0/s1
InChIKeyYPEXATBROKQFSM-UONOGXRCSA-N
XLogP1.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 98758129
[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840689
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754
2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273527
2-[4-[(1S,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273528
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95345802
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853797
8-methoxy-3-[3-(triazol-1-yl)azetidine-1-carbonyl]chromen-2-one
CID 121154869
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 133269656
2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154692
3-(2-ethoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 121154758

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 154755631) is [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone is COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC(n2ccnn2)C1.
What is the InChIKey of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is YPEXATBROKQFSM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-15-5-3-2-4-12(15)13-8-14(13)16(21)19-9-11(10-19)20-7-6-17-18-20/h2-7,11,13-14H,8-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone?
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 154755631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).