5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride

C16H20ClN7O — CID 162319899

IUPAC5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride
SMILESCN(C)CCNc1cc(=O)n(-c2ccccc2)nc1-c1ncn[nH]1.Cl
InChIInChI=1S/C16H19N7O.ClH/c1-22(2)9-8-17-13-10-14(24)23(12-6-4-3-5-7-12)21-15(13)16-18-11-19-20-16;/h3-7,10-11,17H,8-9H2,1-2H3,(H,18,19,20);1H
InChIKeyISDNVVZCDGHRRH-UHFFFAOYSA-N
MW361.84 g/mol
LogP1.41
Rot. Bonds6

About 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride

5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride (PubChem CID 162319899) has the molecular formula C16H20ClN7O and a molecular weight of 361.84 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride
PubChem CID162319899
Molecular FormulaC16H20ClN7O
Molecular Weight361.84 g/mol
Exact Mass361.14
IUPAC Name5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride
SMILESCN(C)CCNc1cc(=O)n(-c2ccccc2)nc1-c1ncn[nH]1.Cl
InChIInChI=1S/C16H19N7O.ClH/c1-22(2)9-8-17-13-10-14(24)23(12-6-4-3-5-7-12)21-15(13)16-18-11-19-20-16;/h3-7,10-11,17H,8-9H2,1-2H3,(H,18,19,20);1H
InChIKeyISDNVVZCDGHRRH-UHFFFAOYSA-N
XLogP1.41
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride (CID 162319899) is 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride is CN(C)CCNc1cc(=O)n(-c2ccccc2)nc1-c1ncn[nH]1.Cl.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride?
The InChIKey is ISDNVVZCDGHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O.ClH/c1-22(2)9-8-17-13-10-14(24)23(12-6-4-3-5-7-12)21-15(13)16-18-11-19-20-16;/h3-7,10-11,17H,8-9H2,1-2H3,(H,18,19,20);1H.
What are the key properties of 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride?
5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride has a molecular weight of 361.84 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride is sourced from PubChem (CID 162319899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).