7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C9H12N4 — CID 58527371

IUPAC7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)c1ccc2c(N)ncnn12
InChIInChI=1S/C9H12N4/c1-6(2)7-3-4-8-9(10)11-5-12-13(7)8/h3-6H,1-2H3,(H2,10,11,12)
InChIKeyHLHOXUPUXBCGJL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.43
Rot. Bonds1

About 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58527371) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58527371
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)c1ccc2c(N)ncnn12
InChIInChI=1S/C9H12N4/c1-6(2)7-3-4-8-9(10)11-5-12-13(7)8/h3-6H,1-2H3,(H2,10,11,12)
InChIKeyHLHOXUPUXBCGJL-UHFFFAOYSA-N
XLogP1.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58527371) is 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)c1ccc2c(N)ncnn12.
What is the InChIKey of 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is HLHOXUPUXBCGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)7-3-4-8-9(10)11-5-12-13(7)8/h3-6H,1-2H3,(H2,10,11,12).
What are the key properties of 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 176.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58527371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).