N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H21N7 — CID 34009199

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)(CNc1ccc2nnnn2n1)N1CCc2ccccc2C1
InChIInChI=1S/C17H21N7/c1-17(2,23-10-9-13-5-3-4-6-14(13)11-23)12-18-15-7-8-16-19-21-22-24(16)20-15/h3-8H,9-12H2,1-2H3,(H,18,20)
InChIKeyGRMONQMIQSRLQL-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.77
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 34009199) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID34009199
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)(CNc1ccc2nnnn2n1)N1CCc2ccccc2C1
InChIInChI=1S/C17H21N7/c1-17(2,23-10-9-13-5-3-4-6-14(13)11-23)12-18-15-7-8-16-19-21-22-24(16)20-15/h3-8H,9-12H2,1-2H3,(H,18,20)
InChIKeyGRMONQMIQSRLQL-UHFFFAOYSA-N
XLogP1.77
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 34009199) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(C)(CNc1ccc2nnnn2n1)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GRMONQMIQSRLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-17(2,23-10-9-13-5-3-4-6-14(13)11-23)12-18-15-7-8-16-19-21-22-24(16)20-15/h3-8H,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 34009199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).