6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride

C12H13ClN6O — CID 170637703

IUPAC6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(-n2ncnc2C2COCCN2)nc1
InChIInChI=1S/C12H12N6O.ClH/c13-5-9-1-2-11(15-6-9)18-12(16-8-17-18)10-7-19-4-3-14-10;/h1-2,6,8,10,14H,3-4,7H2;1H
InChIKeyRXHZROOGKVZHSX-UHFFFAOYSA-N
MW292.73 g/mol
LogP0.62
Rot. Bonds2

About 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride

6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride (PubChem CID 170637703) has the molecular formula C12H13ClN6O and a molecular weight of 292.73 g/mol. Its IUPAC name is 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride
PubChem CID170637703
Molecular FormulaC12H13ClN6O
Molecular Weight292.73 g/mol
Exact Mass292.08
IUPAC Name6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc(-n2ncnc2C2COCCN2)nc1
InChIInChI=1S/C12H12N6O.ClH/c13-5-9-1-2-11(15-6-9)18-12(16-8-17-18)10-7-19-4-3-14-10;/h1-2,6,8,10,14H,3-4,7H2;1H
InChIKeyRXHZROOGKVZHSX-UHFFFAOYSA-N
XLogP0.62
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride (CID 170637703) is 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride is Cl.N#Cc1ccc(-n2ncnc2C2COCCN2)nc1.
What is the InChIKey of 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride?
The InChIKey is RXHZROOGKVZHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O.ClH/c13-5-9-1-2-11(15-6-9)18-12(16-8-17-18)10-7-19-4-3-14-10;/h1-2,6,8,10,14H,3-4,7H2;1H.
What are the key properties of 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride?
6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride has a molecular weight of 292.73 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-morpholin-3-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 170637703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).