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

C11H16Cl2N4O — CID 171837818

IUPAC4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride
SMILESCl.Clc1nnc(N[C@@H]2CCCNC2)c2c1COC2
InChIInChI=1S/C11H15ClN4O.ClH/c12-10-8-5-17-6-9(8)11(16-15-10)14-7-2-1-3-13-4-7;/h7,13H,1-6H2,(H,14,16);1H/t7-;/m1./s1
InChIKeySXMPIPGXIZKVPB-OGFXRTJISA-N
MW291.18 g/mol
LogP1.75
Rot. Bonds2

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

4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride (PubChem CID 171837818) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride
PubChem CID171837818
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride
SMILESCl.Clc1nnc(N[C@@H]2CCCNC2)c2c1COC2
InChIInChI=1S/C11H15ClN4O.ClH/c12-10-8-5-17-6-9(8)11(16-15-10)14-7-2-1-3-13-4-7;/h7,13H,1-6H2,(H,14,16);1H/t7-;/m1./s1
InChIKeySXMPIPGXIZKVPB-OGFXRTJISA-N
XLogP1.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride?
The IUPAC name of 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride (CID 171837818) is 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride.
What is the SMILES notation for 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride?
The canonical SMILES for 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride is Cl.Clc1nnc(N[C@@H]2CCCNC2)c2c1COC2.
What is the InChIKey of 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride?
The InChIKey is SXMPIPGXIZKVPB-OGFXRTJISA-N. The full InChI is InChI=1S/C11H15ClN4O.ClH/c12-10-8-5-17-6-9(8)11(16-15-10)14-7-2-1-3-13-4-7;/h7,13H,1-6H2,(H,14,16);1H/t7-;/m1./s1.
What are the key properties of 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride?
4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R)-piperidin-3-yl]-5,7-dihydrofuro[3,4-d]pyridazin-1-amine;hydrochloride is sourced from PubChem (CID 171837818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).