4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine

C12H17ClN4O — CID 167137622

IUPAC4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine
SMILESCN1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1
InChIInChI=1S/C12H17ClN4O/c1-17-4-2-3-8(5-17)14-12-10-7-18-6-9(10)11(13)15-16-12/h8H,2-7H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyVMAZYCSGLATOKO-MRVPVSSYSA-N
MW268.75 g/mol
LogP1.67
Rot. Bonds2

About 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine

4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine (PubChem CID 167137622) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine
PubChem CID167137622
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine
SMILESCN1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1
InChIInChI=1S/C12H17ClN4O/c1-17-4-2-3-8(5-17)14-12-10-7-18-6-9(10)11(13)15-16-12/h8H,2-7H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyVMAZYCSGLATOKO-MRVPVSSYSA-N
XLogP1.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine?
The IUPAC name of 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine (CID 167137622) is 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine?
The canonical SMILES for 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine is CN1CCC[C@@H](Nc2nnc(Cl)c3c2COC3)C1.
What is the InChIKey of 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine?
The InChIKey is VMAZYCSGLATOKO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-17-4-2-3-8(5-17)14-12-10-7-18-6-9(10)11(13)15-16-12/h8H,2-7H2,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine?
4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine has a molecular weight of 268.75 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 167137622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).