1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol

C12H19ClN4O — CID 155284578

IUPAC1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C12H19ClN4O/c1-9(18)7-17-6-2-3-10(8-17)14-12-5-4-11(13)15-16-12/h4-5,9-10,18H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyPVWKPYNFWNKRAA-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.39
Rot. Bonds4

About 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol

1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol (PubChem CID 155284578) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol
PubChem CID155284578
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C12H19ClN4O/c1-9(18)7-17-6-2-3-10(8-17)14-12-5-4-11(13)15-16-12/h4-5,9-10,18H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyPVWKPYNFWNKRAA-UHFFFAOYSA-N
XLogP1.39
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol (CID 155284578) is 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol is CC(O)CN1CCCC(Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol?
The InChIKey is PVWKPYNFWNKRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-9(18)7-17-6-2-3-10(8-17)14-12-5-4-11(13)15-16-12/h4-5,9-10,18H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol?
1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol has a molecular weight of 270.76 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 155284578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).