1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride

C6H10ClN5O — CID 75480844

IUPAC1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C6H9N5O.ClH/c7-6(12)5-3-11(10-9-5)4-1-8-2-4;/h3-4,8H,1-2H2,(H2,7,12);1H
InChIKeyLGQZTNWLLSENJQ-UHFFFAOYSA-N
MW203.63 g/mol
LogP-1.06
Rot. Bonds2

About 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride

1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride (PubChem CID 75480844) has the molecular formula C6H10ClN5O and a molecular weight of 203.63 g/mol. Its IUPAC name is 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride
PubChem CID75480844
Molecular FormulaC6H10ClN5O
Molecular Weight203.63 g/mol
Exact Mass203.06
IUPAC Name1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C6H9N5O.ClH/c7-6(12)5-3-11(10-9-5)4-1-8-2-4;/h3-4,8H,1-2H2,(H2,7,12);1H
InChIKeyLGQZTNWLLSENJQ-UHFFFAOYSA-N
XLogP-1.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride (CID 75480844) is 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride is Cl.NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride?
The InChIKey is LGQZTNWLLSENJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O.ClH/c7-6(12)5-3-11(10-9-5)4-1-8-2-4;/h3-4,8H,1-2H2,(H2,7,12);1H.
What are the key properties of 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride?
1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 75480844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).