N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H19N5 — CID 133395316

IUPACN-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCC3(Cc4ccccc4)CC3)nn12
InChIInChI=1S/C17H19N5/c1-13-19-20-16-8-7-15(21-22(13)16)18-12-17(9-10-17)11-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,18,21)
InChIKeyDXNNIVZVMGRUQB-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.87
Rot. Bonds5

About N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133395316) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133395316
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCC3(Cc4ccccc4)CC3)nn12
InChIInChI=1S/C17H19N5/c1-13-19-20-16-8-7-15(21-22(13)16)18-12-17(9-10-17)11-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,18,21)
InChIKeyDXNNIVZVMGRUQB-UHFFFAOYSA-N
XLogP2.87
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133395316) is N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NCC3(Cc4ccccc4)CC3)nn12.
What is the InChIKey of N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is DXNNIVZVMGRUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-19-20-16-8-7-15(21-22(13)16)18-12-17(9-10-17)11-14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,18,21).
What are the key properties of N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 293.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclopropyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133395316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).