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

C10H10ClN5O — CID 138484365

IUPAC5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCc3[nH]ncc3C2)c1Cl
InChIInChI=1S/C10H10ClN5O/c11-9-8(4-13-15-10(9)17)16-2-1-7-6(5-16)3-12-14-7/h3-4H,1-2,5H2,(H,12,14)(H,15,17)
InChIKeyPNQTWRQHKKBHCV-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.71
Rot. Bonds1

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

5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one (PubChem CID 138484365) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
PubChem CID138484365
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCc3[nH]ncc3C2)c1Cl
InChIInChI=1S/C10H10ClN5O/c11-9-8(4-13-15-10(9)17)16-2-1-7-6(5-16)3-12-14-7/h3-4H,1-2,5H2,(H,12,14)(H,15,17)
InChIKeyPNQTWRQHKKBHCV-UHFFFAOYSA-N
XLogP0.71
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one (CID 138484365) is 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCc3[nH]ncc3C2)c1Cl.
What is the InChIKey of 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The InChIKey is PNQTWRQHKKBHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-9-8(4-13-15-10(9)17)16-2-1-7-6(5-16)3-12-14-7/h3-4H,1-2,5H2,(H,12,14)(H,15,17).
What are the key properties of 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one has a molecular weight of 251.68 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 138484365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).