N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride

C17H26Cl2N6 — CID 138562448

IUPACN-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride
SMILESCc1nn(C)cc1-c1ccc(NC2CC3(CCNCC3)C2)nn1.Cl.Cl
InChIInChI=1S/C17H24N6.2ClH/c1-12-14(11-23(2)22-12)15-3-4-16(21-20-15)19-13-9-17(10-13)5-7-18-8-6-17;;/h3-4,11,13,18H,5-10H2,1-2H3,(H,19,21);2*1H
InChIKeyUWGCISGYBNKRLJ-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.97
Rot. Bonds3

About N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride

N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride (PubChem CID 138562448) has the molecular formula C17H26Cl2N6 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride
PubChem CID138562448
Molecular FormulaC17H26Cl2N6
Molecular Weight385.34 g/mol
Exact Mass384.16
IUPAC NameN-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride
SMILESCc1nn(C)cc1-c1ccc(NC2CC3(CCNCC3)C2)nn1.Cl.Cl
InChIInChI=1S/C17H24N6.2ClH/c1-12-14(11-23(2)22-12)15-3-4-16(21-20-15)19-13-9-17(10-13)5-7-18-8-6-17;;/h3-4,11,13,18H,5-10H2,1-2H3,(H,19,21);2*1H
InChIKeyUWGCISGYBNKRLJ-UHFFFAOYSA-N
XLogP2.97
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride?
The IUPAC name of N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride (CID 138562448) is N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride.
What is the SMILES notation for N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride?
The canonical SMILES for N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride is Cc1nn(C)cc1-c1ccc(NC2CC3(CCNCC3)C2)nn1.Cl.Cl.
What is the InChIKey of N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride?
The InChIKey is UWGCISGYBNKRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6.2ClH/c1-12-14(11-23(2)22-12)15-3-4-16(21-20-15)19-13-9-17(10-13)5-7-18-8-6-17;;/h3-4,11,13,18H,5-10H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride?
N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine;dihydrochloride is sourced from PubChem (CID 138562448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).