3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol

C11H14ClN3O2 — CID 167138133

IUPAC3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(Nc2nnc(Cl)c3c2COC3)C1
InChIInChI=1S/C11H14ClN3O2/c1-11(16)2-6(3-11)13-10-8-5-17-4-7(8)9(12)14-15-10/h6,16H,2-5H2,1H3,(H,13,15)
InChIKeyHCHIDCGAYHLUID-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.49
Rot. Bonds2

About 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol

3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol (PubChem CID 167138133) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol
PubChem CID167138133
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(Nc2nnc(Cl)c3c2COC3)C1
InChIInChI=1S/C11H14ClN3O2/c1-11(16)2-6(3-11)13-10-8-5-17-4-7(8)9(12)14-15-10/h6,16H,2-5H2,1H3,(H,13,15)
InChIKeyHCHIDCGAYHLUID-UHFFFAOYSA-N
XLogP1.49
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol (CID 167138133) is 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol is CC1(O)CC(Nc2nnc(Cl)c3c2COC3)C1.
What is the InChIKey of 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol?
The InChIKey is HCHIDCGAYHLUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-11(16)2-6(3-11)13-10-8-5-17-4-7(8)9(12)14-15-10/h6,16H,2-5H2,1H3,(H,13,15).
What are the key properties of 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol?
3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol has a molecular weight of 255.70 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-yl)amino]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 167138133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).