4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine

C6H6ClN3O — CID 175617902

IUPAC4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine
SMILESNc1nnc(Cl)c2c1COC2
InChIInChI=1S/C6H6ClN3O/c7-5-3-1-11-2-4(3)6(8)10-9-5/h1-2H2,(H2,8,10)
InChIKeyQRAAIRREXHWPBG-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.74
Rot. Bonds

About 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine

4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine (PubChem CID 175617902) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound Name4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine
PubChem CID175617902
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine
SMILESNc1nnc(Cl)c2c1COC2
InChIInChI=1S/C6H6ClN3O/c7-5-3-1-11-2-4(3)6(8)10-9-5/h1-2H2,(H2,8,10)
InChIKeyQRAAIRREXHWPBG-UHFFFAOYSA-N
XLogP0.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Dichloro-5,7-dihydrofuro[3,4-d]pyridazine
CID 166487601
6-Chloro-5-(ethoxymethyl)-4-methylpyridazin-3-amine
CID 155592254
6-Chloro-5-(methoxymethyl)-4-methylpyridazin-3-amine
CID 155592733
6-Chloro-4-(methoxymethyl)-5-methylpyridazin-3-amine
CID 155593124

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine?
The IUPAC name of 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine (CID 175617902) is 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine.
What is the SMILES notation for 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine?
The canonical SMILES for 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine is Nc1nnc(Cl)c2c1COC2.
What is the InChIKey of 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine?
The InChIKey is QRAAIRREXHWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c7-5-3-1-11-2-4(3)6(8)10-9-5/h1-2H2,(H2,8,10).
What are the key properties of 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine?
4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine has a molecular weight of 171.59 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-dihydrofuro[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 175617902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).