3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one

C10H15N5O — CID 154866029

IUPAC3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one
SMILESO=C1NCCC1n1cc(C2CCNC2)nn1
InChIInChI=1S/C10H15N5O/c16-10-9(2-4-12-10)15-6-8(13-14-15)7-1-3-11-5-7/h6-7,9,11H,1-5H2,(H,12,16)
InChIKeyBUIFVSDGXAWYPA-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.58
Rot. Bonds2

About 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one

3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one (PubChem CID 154866029) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one
PubChem CID154866029
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one
SMILESO=C1NCCC1n1cc(C2CCNC2)nn1
InChIInChI=1S/C10H15N5O/c16-10-9(2-4-12-10)15-6-8(13-14-15)7-1-3-11-5-7/h6-7,9,11H,1-5H2,(H,12,16)
InChIKeyBUIFVSDGXAWYPA-UHFFFAOYSA-N
XLogP-0.58
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride
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4-[(3R)-pyrrolidin-3-yl]pyrimidine
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2-pyrrolidin-3-ylpyrazine;hydrochloride
CID 71744154
4-pyrrolidin-3-yl-2H-triazole
CID 54238328
2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine
CID 167960921
1,4-dicyclohexyltriazole
CID 46204135
1-(1-piperidin-3-yltriazol-4-yl)ethanone
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CID 97297705

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one?
The IUPAC name of 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one (CID 154866029) is 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one is O=C1NCCC1n1cc(C2CCNC2)nn1.
What is the InChIKey of 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one?
The InChIKey is BUIFVSDGXAWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c16-10-9(2-4-12-10)15-6-8(13-14-15)7-1-3-11-5-7/h6-7,9,11H,1-5H2,(H,12,16).
What are the key properties of 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one?
3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 154866029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).