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

C22H30N6O — CID 155777756

IUPAC2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(Cc1ccccc1)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1
InChIInChI=1S/C22H30N6O/c1-2-6-19(14-16-7-4-3-5-8-16)29-22-26-20(23)21-25-15-18(28(21)27-22)13-17-9-11-24-12-10-17/h3-5,7-8,15,17,19,24H,2,6,9-14H2,1H3,(H2,23,26,27)
InChIKeyKOKHVZRYLWVSEL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.04
Rot. Bonds8

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

2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155777756) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155777756
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(Cc1ccccc1)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1
InChIInChI=1S/C22H30N6O/c1-2-6-19(14-16-7-4-3-5-8-16)29-22-26-20(23)21-25-15-18(28(21)27-22)13-17-9-11-24-12-10-17/h3-5,7-8,15,17,19,24H,2,6,9-14H2,1H3,(H2,23,26,27)
InChIKeyKOKHVZRYLWVSEL-UHFFFAOYSA-N
XLogP3.04
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(1-phenylpentan-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-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777697
7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167689185
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-[[1-[2-(methylamino)ethyl]piperidin-4-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 165153513
tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)
CID 167674792
7-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 157021619
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-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-methyl-3-pyridinyl]methyl]-2-pentan-3-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 155053789
2-heptan-4-yloxy-7-[[6-[2-(methylamino)ethoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155057882
3-[4-amino-7-[[3-[2-(methylamino)ethoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol
CID 157021944

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 155777756) is 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine is CCCC(Cc1ccccc1)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1.
What is the InChIKey of 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KOKHVZRYLWVSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-2-6-19(14-16-7-4-3-5-8-16)29-22-26-20(23)21-25-15-18(28(21)27-22)13-17-9-11-24-12-10-17/h3-5,7-8,15,17,19,24H,2,6,9-14H2,1H3,(H2,23,26,27).
What are the key properties of 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 394.52 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).