2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C10H17N5O2 — CID 102611960

IUPAC2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COC1(C)CNC1)c1ncn[nH]1
InChIInChI=1S/C10H17N5O2/c1-7(9-12-6-13-15-9)14-8(16)3-17-10(2)4-11-5-10/h6-7,11H,3-5H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyLKDPSZHNWPAULO-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.64
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 102611960) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID102611960
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COC1(C)CNC1)c1ncn[nH]1
InChIInChI=1S/C10H17N5O2/c1-7(9-12-6-13-15-9)14-8(16)3-17-10(2)4-11-5-10/h6-7,11H,3-5H2,1-2H3,(H,14,16)(H,12,13,15)
InChIKeyLKDPSZHNWPAULO-UHFFFAOYSA-N
XLogP-0.64
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-imidazol-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656612
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656423
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 130162767
2-(2,6-dimethylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716567
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656407
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 102611950
2-(2-ethoxyphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716236
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
2-(4-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725950
2-[4-(aminomethyl)phenoxy]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281095
(3R,5R)-3,5-dimethyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide
CID 98357532

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 102611960) is 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CC(NC(=O)COC1(C)CNC1)c1ncn[nH]1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is LKDPSZHNWPAULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(9-12-6-13-15-9)14-8(16)3-17-10(2)4-11-5-10/h6-7,11H,3-5H2,1-2H3,(H,14,16)(H,12,13,15).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 239.28 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 102611960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).