3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C11H15N5O3 — CID 64546220

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H15N5O3/c17-9(12-5-3-8-13-7-14-15-8)4-6-16-10(18)1-2-11(16)19/h7H,1-6H2,(H,12,17)(H,13,14,15)
InChIKeyVNCZCRDVHSLETE-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.00
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 64546220) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID64546220
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H15N5O3/c17-9(12-5-3-8-13-7-14-15-8)4-6-16-10(18)1-2-11(16)19/h7H,1-6H2,(H,12,17)(H,13,14,15)
InChIKeyVNCZCRDVHSLETE-UHFFFAOYSA-N
XLogP-1.00
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64532137
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18267056
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530153
3-piperidin-4-yloxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530751
2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546984

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 64546220) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is O=C(CCN1C(=O)CCC1=O)NCCc1ncn[nH]1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is VNCZCRDVHSLETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c17-9(12-5-3-8-13-7-14-15-8)4-6-16-10(18)1-2-11(16)19/h7H,1-6H2,(H,12,17)(H,13,14,15).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 265.27 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 64546220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).