1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone

C9H14N4O2 — CID 115348314

IUPAC1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESO=C(Cn1ccnn1)N1CCCC1CO
InChIInChI=1S/C9H14N4O2/c14-7-8-2-1-4-13(8)9(15)6-12-5-3-10-11-12/h3,5,8,14H,1-2,4,6-7H2
InChIKeyMBEGOLWHRYQBCE-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.74
Rot. Bonds3

About 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone (PubChem CID 115348314) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
PubChem CID115348314
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone
SMILESO=C(Cn1ccnn1)N1CCCC1CO
InChIInChI=1S/C9H14N4O2/c14-7-8-2-1-4-13(8)9(15)6-12-5-3-10-11-12/h3,5,8,14H,1-2,4,6-7H2
InChIKeyMBEGOLWHRYQBCE-UHFFFAOYSA-N
XLogP-0.74
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 43421717
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 66260539
2-chloro-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 154846667
1-[2-oxo-2-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
CID 120949700
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
1-[2-(hydroxymethyl)azepan-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 116635996
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
4-[2-(triazol-1-yl)acetyl]thiomorpholine-3-carboxylic acid
CID 82900486
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 61411371
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81487187

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone (CID 115348314) is 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone is O=C(Cn1ccnn1)N1CCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone?
The InChIKey is MBEGOLWHRYQBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-7-8-2-1-4-13(8)9(15)6-12-5-3-10-11-12/h3,5,8,14H,1-2,4,6-7H2.
What are the key properties of 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone?
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(triazol-1-yl)ethanone is sourced from PubChem (CID 115348314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).