5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H15N5 — CID 166973341

IUPAC5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(C2CCNC2)n2ncnc(N)c12
InChIInChI=1S/C11H15N5/c1-7-4-9(8-2-3-13-5-8)16-10(7)11(12)14-6-15-16/h4,6,8,13H,2-3,5H2,1H3,(H2,12,14,15)
InChIKeyVWLZDXIYYRHGAA-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.70
Rot. Bonds1

About 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 166973341) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID166973341
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cc(C2CCNC2)n2ncnc(N)c12
InChIInChI=1S/C11H15N5/c1-7-4-9(8-2-3-13-5-8)16-10(7)11(12)14-6-15-16/h4,6,8,13H,2-3,5H2,1H3,(H2,12,14,15)
InChIKeyVWLZDXIYYRHGAA-UHFFFAOYSA-N
XLogP0.70
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 166973341) is 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cc(C2CCNC2)n2ncnc(N)c12.
What is the InChIKey of 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is VWLZDXIYYRHGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-4-9(8-2-3-13-5-8)16-10(7)11(12)14-6-15-16/h4,6,8,13H,2-3,5H2,1H3,(H2,12,14,15).
What are the key properties of 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 217.28 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 166973341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).