2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C10H17N5O — CID 80683153

IUPAC2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)CC2CNC2)n1
InChIInChI=1S/C10H17N5O/c1-15-7-13-9(14-15)2-3-12-10(16)4-8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyXEBJSZBXYWYDCD-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.92
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 80683153) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID80683153
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)CC2CNC2)n1
InChIInChI=1S/C10H17N5O/c1-15-7-13-9(14-15)2-3-12-10(16)4-8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeyXEBJSZBXYWYDCD-UHFFFAOYSA-N
XLogP-0.92
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-sulfanylacetamide
CID 80686448
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
CID 80682093
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-2-carboxamide
CID 80681957
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570161
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 80683065
2-[(2-methylpropan-2-yl)oxy]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 112605558
3-amino-3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 80682439
2-(azetidin-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 103006800
4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 80682609
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]acetamide
CID 80689665
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 115688654

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 80683153) is 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cn1cnc(CCNC(=O)CC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is XEBJSZBXYWYDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-7-13-9(14-15)2-3-12-10(16)4-8-5-11-6-8/h7-8,11H,2-6H2,1H3,(H,12,16).
What are the key properties of 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 80683153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).