6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine

C10H13ClF2N4 — CID 171545223

IUPAC6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine
SMILESFC(F)c1cc(N[C@@H]2CCCNC2)nnc1Cl
InChIInChI=1S/C10H13ClF2N4/c11-9-7(10(12)13)4-8(16-17-9)15-6-2-1-3-14-5-6/h4,6,10,14H,1-3,5H2,(H,15,16)/t6-/m1/s1
InChIKeyJONYMPXJBLVLJD-ZCFIWIBFSA-N
MW262.69 g/mol
LogP2.23
Rot. Bonds3

About 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine

6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine (PubChem CID 171545223) has the molecular formula C10H13ClF2N4 and a molecular weight of 262.69 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine
PubChem CID171545223
Molecular FormulaC10H13ClF2N4
Molecular Weight262.69 g/mol
Exact Mass262.08
IUPAC Name6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine
SMILESFC(F)c1cc(N[C@@H]2CCCNC2)nnc1Cl
InChIInChI=1S/C10H13ClF2N4/c11-9-7(10(12)13)4-8(16-17-9)15-6-2-1-3-14-5-6/h4,6,10,14H,1-3,5H2,(H,15,16)/t6-/m1/s1
InChIKeyJONYMPXJBLVLJD-ZCFIWIBFSA-N
XLogP2.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine (CID 171545223) is 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine is FC(F)c1cc(N[C@@H]2CCCNC2)nnc1Cl.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine?
The InChIKey is JONYMPXJBLVLJD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClF2N4/c11-9-7(10(12)13)4-8(16-17-9)15-6-2-1-3-14-5-6/h4,6,10,14H,1-3,5H2,(H,15,16)/t6-/m1/s1.
What are the key properties of 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine?
6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine has a molecular weight of 262.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-N-[(3R)-piperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 171545223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).