5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

C12H17ClN4O2 — CID 66625120

IUPAC5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1nc2cc(C3COCCN3)[nH]n2c(=O)c1C.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-7-8(2)14-11-5-9(15-16(11)12(7)17)10-6-18-4-3-13-10;/h5,10,13,15H,3-4,6H2,1-2H3;1H
InChIKeyLZJZTOYUQROROG-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.72
Rot. Bonds1

About 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (PubChem CID 66625120) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
PubChem CID66625120
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1nc2cc(C3COCCN3)[nH]n2c(=O)c1C.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-7-8(2)14-11-5-9(15-16(11)12(7)17)10-6-18-4-3-13-10;/h5,10,13,15H,3-4,6H2,1-2H3;1H
InChIKeyLZJZTOYUQROROG-UHFFFAOYSA-N
XLogP0.72
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The IUPAC name of 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (CID 66625120) is 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is Cc1nc2cc(C3COCCN3)[nH]n2c(=O)c1C.Cl.
What is the InChIKey of 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The InChIKey is LZJZTOYUQROROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2.ClH/c1-7-8(2)14-11-5-9(15-16(11)12(7)17)10-6-18-4-3-13-10;/h5,10,13,15H,3-4,6H2,1-2H3;1H.
What are the key properties of 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride has a molecular weight of 284.75 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-morpholin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 66625120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).