7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine

C12H19N5 — CID 167169930

IUPAC7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCCCC(CCC)c1ncc2c(N)ncnn12
InChIInChI=1S/C12H19N5/c1-3-5-9(6-4-2)12-14-7-10-11(13)15-8-16-17(10)12/h7-9H,3-6H2,1-2H3,(H2,13,15,16)
InChIKeyAFHBAUXCWKXBCU-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.39
Rot. Bonds5

About 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine

7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 167169930) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID167169930
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCCCC(CCC)c1ncc2c(N)ncnn12
InChIInChI=1S/C12H19N5/c1-3-5-9(6-4-2)12-14-7-10-11(13)15-8-16-17(10)12/h7-9H,3-6H2,1-2H3,(H2,13,15,16)
InChIKeyAFHBAUXCWKXBCU-UHFFFAOYSA-N
XLogP2.39
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine (CID 167169930) is 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine is CCCC(CCC)c1ncc2c(N)ncnn12.
What is the InChIKey of 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is AFHBAUXCWKXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-5-9(6-4-2)12-14-7-10-11(13)15-8-16-17(10)12/h7-9H,3-6H2,1-2H3,(H2,13,15,16).
What are the key properties of 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine?
7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 233.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptan-4-ylimidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 167169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).