7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine

C14H23N5 — CID 138702713

IUPAC7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCCCCC(CC)c1cnc2c(N)ncnn12
InChIInChI=1S/C14H23N5/c1-3-5-6-7-8-11(4-2)12-9-16-14-13(15)17-10-18-19(12)14/h9-11H,3-8H2,1-2H3,(H2,15,17,18)
InChIKeyMBUFPZTWBRWYFB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds7

About 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine

7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 138702713) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID138702713
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCCCCC(CC)c1cnc2c(N)ncnn12
InChIInChI=1S/C14H23N5/c1-3-5-6-7-8-11(4-2)12-9-16-14-13(15)17-10-18-19(12)14/h9-11H,3-8H2,1-2H3,(H2,15,17,18)
InChIKeyMBUFPZTWBRWYFB-UHFFFAOYSA-N
XLogP3.17
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine (CID 138702713) is 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine is CCCCCCC(CC)c1cnc2c(N)ncnn12.
What is the InChIKey of 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MBUFPZTWBRWYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-5-6-7-8-11(4-2)12-9-16-14-13(15)17-10-18-19(12)14/h9-11H,3-8H2,1-2H3,(H2,15,17,18).
What are the key properties of 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nonan-3-ylimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 138702713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).