5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one

C12H14ClN5O — CID 163651326

IUPAC5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
SMILESCCn1ncc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C12H14ClN5O/c1-2-18-9-3-4-17(7-8(9)5-15-18)10-6-14-16-12(19)11(10)13/h5-6H,2-4,7H2,1H3,(H,16,19)
InChIKeyIMMSTCILPVRRGL-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.20
Rot. Bonds2

About 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one

5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one (PubChem CID 163651326) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
PubChem CID163651326
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
SMILESCCn1ncc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C12H14ClN5O/c1-2-18-9-3-4-17(7-8(9)5-15-18)10-6-14-16-12(19)11(10)13/h5-6H,2-4,7H2,1H3,(H,16,19)
InChIKeyIMMSTCILPVRRGL-UHFFFAOYSA-N
XLogP1.20
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one (CID 163651326) is 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one is CCn1ncc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The InChIKey is IMMSTCILPVRRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-2-18-9-3-4-17(7-8(9)5-15-18)10-6-14-16-12(19)11(10)13/h5-6H,2-4,7H2,1H3,(H,16,19).
What are the key properties of 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one has a molecular weight of 279.73 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 163651326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).