1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

C9H15N5O — CID 81470062

IUPAC1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCNC1CCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C9H15N5O/c1-10-8-2-3-13(4-8)9(15)5-14-7-11-6-12-14/h6-8,10H,2-5H2,1H3
InChIKeyKBZRFRSPZABUSJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.90
Rot. Bonds3

About 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 81470062) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID81470062
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCNC1CCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C9H15N5O/c1-10-8-2-3-13(4-8)9(15)5-14-7-11-6-12-14/h6-8,10H,2-5H2,1H3
InChIKeyKBZRFRSPZABUSJ-UHFFFAOYSA-N
XLogP-0.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 81470062) is 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is CNC1CCN(C(=O)Cn2cncn2)C1.
What is the InChIKey of 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is KBZRFRSPZABUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-10-8-2-3-13(4-8)9(15)5-14-7-11-6-12-14/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 209.25 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 81470062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).