2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C10H16N4O2 — CID 62399963

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)n1cc(CO)nn1
InChIInChI=1S/C10H16N4O2/c1-8(10(16)13-4-2-3-5-13)14-6-9(7-15)11-12-14/h6,8,15H,2-5,7H2,1H3
InChIKeyQQVLKZOQACWPKM-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.05
Rot. Bonds3

About 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62399963) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62399963
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)n1cc(CO)nn1
InChIInChI=1S/C10H16N4O2/c1-8(10(16)13-4-2-3-5-13)14-6-9(7-15)11-12-14/h6,8,15H,2-5,7H2,1H3
InChIKeyQQVLKZOQACWPKM-UHFFFAOYSA-N
XLogP-0.05
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]propan-1-one
CID 62399439
2-[1-[1-(azepan-1-yl)-1-oxopropan-2-yl]triazol-4-yl]acetic acid
CID 107461826
2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 106220722
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778570
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63999918
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
N'-[[1-[(2S)-1-(4-tert-butylpiperazin-1-yl)-1-oxopropan-2-yl]triazol-4-yl]methyl]ethanimidamide
CID 89293474
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 62399584
2-(4-hydroxypyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 155928497
2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401695
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 124938470
4-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 107345214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 62399963) is 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)n1cc(CO)nn1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QQVLKZOQACWPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8(10(16)13-4-2-3-5-13)14-6-9(7-15)11-12-14/h6,8,15H,2-5,7H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 224.26 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62399963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).