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

C7H12ClN5O — CID 130653796

IUPACN-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cn1nccn1)NC1CNC1
InChIInChI=1S/C7H11N5O.ClH/c13-7(11-6-3-8-4-6)5-12-9-1-2-10-12;/h1-2,6,8H,3-5H2,(H,11,13);1H
InChIKeyMQTJNNXTBZEHDG-UHFFFAOYSA-N
MW217.66 g/mol
LogP-1.21
Rot. Bonds3

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

N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride (PubChem CID 130653796) has the molecular formula C7H12ClN5O and a molecular weight of 217.66 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride
PubChem CID130653796
Molecular FormulaC7H12ClN5O
Molecular Weight217.66 g/mol
Exact Mass217.07
IUPAC NameN-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cn1nccn1)NC1CNC1
InChIInChI=1S/C7H11N5O.ClH/c13-7(11-6-3-8-4-6)5-12-9-1-2-10-12;/h1-2,6,8H,3-5H2,(H,11,13);1H
InChIKeyMQTJNNXTBZEHDG-UHFFFAOYSA-N
XLogP-1.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-1.21
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;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride (CID 130653796) is N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride is Cl.O=C(Cn1nccn1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride?
The InChIKey is MQTJNNXTBZEHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O.ClH/c13-7(11-6-3-8-4-6)5-12-9-1-2-10-12;/h1-2,6,8H,3-5H2,(H,11,13);1H.
What are the key properties of N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride?
N-(azetidin-3-yl)-2-(triazol-2-yl)acetamide;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of -1.21, 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;hydrochloride is sourced from PubChem (CID 130653796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).