1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride

C14H19ClN4O2 — CID 168985367

IUPAC1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride
SMILESCc1n[nH]c(=O)c2cc(C3CCNCC3)c(=O)n(C)c12.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-8-12-11(13(19)17-16-8)7-10(14(20)18(12)2)9-3-5-15-6-4-9;/h7,9,15H,3-6H2,1-2H3,(H,17,19);1H
InChIKeyPKIWHWZARVGHGC-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.82
Rot. Bonds1

About 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride

1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride (PubChem CID 168985367) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride
PubChem CID168985367
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride
SMILESCc1n[nH]c(=O)c2cc(C3CCNCC3)c(=O)n(C)c12.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-8-12-11(13(19)17-16-8)7-10(14(20)18(12)2)9-3-5-15-6-4-9;/h7,9,15H,3-6H2,1-2H3,(H,17,19);1H
InChIKeyPKIWHWZARVGHGC-UHFFFAOYSA-N
XLogP0.82
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride?
The IUPAC name of 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride (CID 168985367) is 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride.
What is the SMILES notation for 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride?
The canonical SMILES for 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride is Cc1n[nH]c(=O)c2cc(C3CCNCC3)c(=O)n(C)c12.Cl.
What is the InChIKey of 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride?
The InChIKey is PKIWHWZARVGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-8-12-11(13(19)17-16-8)7-10(14(20)18(12)2)9-3-5-15-6-4-9;/h7,9,15H,3-6H2,1-2H3,(H,17,19);1H.
What are the key properties of 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride?
1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride is sourced from PubChem (CID 168985367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).