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

C12H19ClN4O — CID 155284575

IUPAC1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC[C@@H](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)/t9?,10-/m1/s1
InChIKeyPVWKPYNFWNKRAA-QVDQXJPCSA-N
MW270.76 g/mol
LogP1.39
Rot. Bonds4

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

1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol (PubChem CID 155284575) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol
PubChem CID155284575
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC[C@@H](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)/t9?,10-/m1/s1
InChIKeyPVWKPYNFWNKRAA-QVDQXJPCSA-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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Related Compounds

2-[(6-Chloropyridazin-3-yl)amino]ethan-1-ol
CID 582312
1-(6-Chloro-3-pyridazinyl)-4-piperidinol
CID 5200271
6-chloro-N-(2-morpholin-4-ylethyl)pyridazin-3-amine
CID 9179274
1-((6-Chloropyridazin-3-yl)(methyl)amino)propan-2-ol
CID 12237595
3-chloro-6-[N-(2-hydroxypropyl)ethylamino]pyridazine
CID 12237596
6-chloro-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine
CID 155284634
6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine
CID 155284637
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)pyridazin-3-amine
CID 155284791
6-chloro-N-[(3S,5R)-5-fluoro-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 155284792
6-chloro-N-(5-fluoropiperidin-3-yl)pyridazin-3-amine
CID 155284837
6-chloro-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyridazin-3-amine
CID 155284839
6-chloro-N-[(3S,5R)-5-fluoropiperidin-3-yl]pyridazin-3-amine
CID 155285287

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol (CID 155284575) is 1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol is CC(O)CN1CCC[C@@H](Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol?
The InChIKey is PVWKPYNFWNKRAA-QVDQXJPCSA-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)/t9?,10-/m1/s1.
What are the key properties of 1-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol?
1-[(3R)-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-[(3R)-3-[(6-chloropyridazin-3-yl)amino]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 155284575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).