2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine

C16H26N6O — CID 155777697

IUPAC2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(C)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1
InChIInChI=1S/C16H26N6O/c1-3-4-11(2)23-16-20-14(17)15-19-10-13(22(15)21-16)9-12-5-7-18-8-6-12/h10-12,18H,3-9H2,1-2H3,(H2,17,20,21)
InChIKeyLJZLNRGZLXWJLV-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.82
Rot. Bonds6

About 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine

2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155777697) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155777697
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(C)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1
InChIInChI=1S/C16H26N6O/c1-3-4-11(2)23-16-20-14(17)15-19-10-13(22(15)21-16)9-12-5-7-18-8-6-12/h10-12,18H,3-9H2,1-2H3,(H2,17,20,21)
InChIKeyLJZLNRGZLXWJLV-UHFFFAOYSA-N
XLogP1.82
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

2-[4-amino-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-2-yl]oxypentan-1-ol
CID 155777792
2-[(2S)-pentan-2-yl]oxy-7-[(1-pentylpiperidin-4-yl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167562973
7-[(3,5-dimethylcyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167627588
7-[[1-[2-(methylamino)ethyl]piperidin-4-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 165153513
[3-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexyl]methanol
CID 167627587
2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777756
2-[(2S)-pentan-2-yl]oxy-7-(spiro[3.3]heptan-2-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167709922
2-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol
CID 167637013
7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167607713
7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167689185
7-(8-azabicyclo[3.2.1]octan-3-ylidenemethyl)-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine;7-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167565975
7-[(5-methoxy-6-piperazin-1-yl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 155046510

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 155777697) is 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine is CCCC(C)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1.
What is the InChIKey of 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LJZLNRGZLXWJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-3-4-11(2)23-16-20-14(17)15-19-10-13(22(15)21-16)9-12-5-7-18-8-6-12/h10-12,18H,3-9H2,1-2H3,(H2,17,20,21).
What are the key properties of 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 318.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155777697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).