N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide

C7H11N5O — CID 130653797

IUPACN-(azetidin-3-yl)-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)NC1CNC1
InChIInChI=1S/C7H11N5O/c13-7(11-6-3-8-4-6)5-12-9-1-2-10-12/h1-2,6,8H,3-5H2,(H,11,13)
InChIKeyDHOUEMLAJNYDKU-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.63
Rot. Bonds3

About N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide

N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide (PubChem CID 130653797) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(triazol-2-yl)acetamide
PubChem CID130653797
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN-(azetidin-3-yl)-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)NC1CNC1
InChIInChI=1S/C7H11N5O/c13-7(11-6-3-8-4-6)5-12-9-1-2-10-12/h1-2,6,8H,3-5H2,(H,11,13)
InChIKeyDHOUEMLAJNYDKU-UHFFFAOYSA-N
XLogP-1.63
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide (CID 130653797) is N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide is O=C(Cn1nccn1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide?
The InChIKey is DHOUEMLAJNYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c13-7(11-6-3-8-4-6)5-12-9-1-2-10-12/h1-2,6,8H,3-5H2,(H,11,13).
What are the key properties of N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide?
N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide has a molecular weight of 181.20 g/mol, XLogP of -1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide is sourced from PubChem (CID 130653797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).