N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine

C14H21N7 — CID 64579643

IUPACN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(N2CCn3cnnc3C2)nn1
InChIInChI=1S/C14H21N7/c1-14(2,3)15-8-11-4-5-12(19-17-11)20-6-7-21-10-16-18-13(21)9-20/h4-5,10,15H,6-9H2,1-3H3
InChIKeyYVYGRGIMKIDAOI-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.98
Rot. Bonds3

About N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine

N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 64579643) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID64579643
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(N2CCn3cnnc3C2)nn1
InChIInChI=1S/C14H21N7/c1-14(2,3)15-8-11-4-5-12(19-17-11)20-6-7-21-10-16-18-13(21)9-20/h4-5,10,15H,6-9H2,1-3H3
InChIKeyYVYGRGIMKIDAOI-UHFFFAOYSA-N
XLogP0.98
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methanol
CID 64577848
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 64579981
N-[[6-(azocan-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 62279661
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 64580444
2-methyl-N-[[6-(3-methylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 62281950
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
CID 64579840
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64579644
N-[[6-(3-methoxypyrrolidin-1-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 103539437
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridinyl]methyl]propan-2-amine
CID 64579260
1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine
CID 64575729
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethoxypyridin-3-amine
CID 64576542
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpyrimidin-4-amine
CID 80844619

Frequently Asked Questions

What is the IUPAC name of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine (CID 64579643) is N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(N2CCn3cnnc3C2)nn1.
What is the InChIKey of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YVYGRGIMKIDAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-14(2,3)15-8-11-4-5-12(19-17-11)20-6-7-21-10-16-18-13(21)9-20/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64579643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).