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

C10H17N5O — CID 103813771

IUPAC2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCn1cnnc1CNC(=O)CC1CNC1
InChIInChI=1S/C10H17N5O/c1-2-15-7-13-14-9(15)6-12-10(16)3-8-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeySTIJKHLWEAOICG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.48
Rot. Bonds5

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

2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 103813771) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID103813771
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCn1cnnc1CNC(=O)CC1CNC1
InChIInChI=1S/C10H17N5O/c1-2-15-7-13-14-9(15)6-12-10(16)3-8-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,16)
InChIKeySTIJKHLWEAOICG-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113267423
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methylpiperidin-2-yl)acetamide
CID 106303216
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106302492
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 103813782
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 103813840
6-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide
CID 105056213
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106303214
5-cyclopropyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106304004
N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 106302630
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106303782

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 103813771) is 2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide is CCn1cnnc1CNC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is STIJKHLWEAOICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-15-7-13-14-9(15)6-12-10(16)3-8-4-11-5-8/h7-8,11H,2-6H2,1H3,(H,12,16).
What are the key properties of 2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.48, 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-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 103813771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).