6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine

C17H22N4 — CID 62785537

IUPAC6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
SMILESCCCNc1cc2c(nn1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C17H22N4/c1-2-9-18-17-11-15-13-21(10-8-16(15)19-20-17)12-14-6-4-3-5-7-14/h3-7,11H,2,8-10,12-13H2,1H3,(H,18,20)
InChIKeyIDWVQYKQSJZYRJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.86
Rot. Bonds5

About 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine

6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine (PubChem CID 62785537) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound Name6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
PubChem CID62785537
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine
SMILESCCCNc1cc2c(nn1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C17H22N4/c1-2-9-18-17-11-15-13-21(10-8-16(15)19-20-17)12-14-6-4-3-5-7-14/h3-7,11H,2,8-10,12-13H2,1H3,(H,18,20)
InChIKeyIDWVQYKQSJZYRJ-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The IUPAC name of 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine (CID 62785537) is 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine.
What is the SMILES notation for 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The canonical SMILES for 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine is CCCNc1cc2c(nn1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
The InChIKey is IDWVQYKQSJZYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-9-18-17-11-15-13-21(10-8-16(15)19-20-17)12-14-6-4-3-5-7-14/h3-7,11H,2,8-10,12-13H2,1H3,(H,18,20).
What are the key properties of 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine?
6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 62785537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).