N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine

C10H14N4 — CID 112712519

IUPACN-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine
SMILESCNCCc1ccc2cnc(C)nn12
InChIInChI=1S/C10H14N4/c1-8-12-7-10-4-3-9(5-6-11-2)14(10)13-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyBGUMIHLYKZOQFC-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.80
Rot. Bonds3

About N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine

N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine (PubChem CID 112712519) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine
PubChem CID112712519
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine
SMILESCNCCc1ccc2cnc(C)nn12
InChIInChI=1S/C10H14N4/c1-8-12-7-10-4-3-9(5-6-11-2)14(10)13-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyBGUMIHLYKZOQFC-UHFFFAOYSA-N
XLogP0.80
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine (CID 112712519) is N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine is CNCCc1ccc2cnc(C)nn12.
What is the InChIKey of N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine?
The InChIKey is BGUMIHLYKZOQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8-12-7-10-4-3-9(5-6-11-2)14(10)13-8/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine?
N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine has a molecular weight of 190.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine is sourced from PubChem (CID 112712519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).