2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride

C13H15ClN8O2 — CID 67456106

IUPAC2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride
SMILESCl.O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C13H14N8O2.ClH/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19;/h1-2,7-9,17H,3-6H2;1H
InChIKeyRZVKSQKHFDTAQD-UHFFFAOYSA-N
MW350.77 g/mol
LogP-0.21
Rot. Bonds3

About 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride

2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride (PubChem CID 67456106) has the molecular formula C13H15ClN8O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride
PubChem CID67456106
Molecular FormulaC13H15ClN8O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC Name2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride
SMILESCl.O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C13H14N8O2.ClH/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19;/h1-2,7-9,17H,3-6H2;1H
InChIKeyRZVKSQKHFDTAQD-UHFFFAOYSA-N
XLogP-0.21
TPSA106.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Molidustat
CID 59603622
2-[6-(4-Cyclobutylpiperazin-1-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464370
2-[6-[3-(dimethylamino)azetidin-1-yl]pyrimidin-4-yl]-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 44464614
1-{2-[6-(1,4-Oxazepan-4-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-imidazole-4-carbonitrile
CID 57925062
1-{2-[6-(1,4-Oxazepan-4-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-1,2,3-triazole-4-carbonitrile
CID 57925066
1-[2-[6-(oxazinan-2-yl)pyrimidin-4-yl]-3-oxo-1H-pyrazol-4-yl]triazole-4-carbonitrile
CID 57925076
2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 59603564
2-(6-thiomorpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one
CID 59603566
4-imidazol-1-yl-2-[6-(3-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazol-3-one
CID 59603639
4-(1H-Imidazol-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 59603655
2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1H-pyrazol-3-one
CID 59603543
2-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]-4-(1H-imidazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
CID 44464864

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride?
The IUPAC name of 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride (CID 67456106) is 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride.
What is the SMILES notation for 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride?
The canonical SMILES for 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride is Cl.O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride?
The InChIKey is RZVKSQKHFDTAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O2.ClH/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19;/h1-2,7-9,17H,3-6H2;1H.
What are the key properties of 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride?
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride has a molecular weight of 350.77 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 67456106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).