1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone

C9H14N4O — CID 114691913

IUPAC1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone
SMILESCn1nncc1C(=O)CC1CCCN1
InChIInChI=1S/C9H14N4O/c1-13-8(6-11-12-13)9(14)5-7-3-2-4-10-7/h6-7,10H,2-5H2,1H3
InChIKeyHLDJRKZEZDZNLP-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.14
Rot. Bonds3

About 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone

1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 114691913) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone
PubChem CID114691913
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone
SMILESCn1nncc1C(=O)CC1CCCN1
InChIInChI=1S/C9H14N4O/c1-13-8(6-11-12-13)9(14)5-7-3-2-4-10-7/h6-7,10H,2-5H2,1H3
InChIKeyHLDJRKZEZDZNLP-UHFFFAOYSA-N
XLogP0.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 106758315
1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560896
2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone
CID 114691892
1-(3-methyltriazol-4-yl)propan-1-one
CID 114685623
N-(1,5-dimethylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119797911
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone (CID 114691913) is 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone is Cn1nncc1C(=O)CC1CCCN1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is HLDJRKZEZDZNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-8(6-11-12-13)9(14)5-7-3-2-4-10-7/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone?
1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 194.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 114691913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).