7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine

C19H31N5O — CID 167689185

IUPAC7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(CCC)Oc1nc(N)c2ncc(CC3CCCCC3)n2n1
InChIInChI=1S/C19H31N5O/c1-3-8-16(9-4-2)25-19-22-17(20)18-21-13-15(24(18)23-19)12-14-10-6-5-7-11-14/h13-14,16H,3-12H2,1-2H3,(H2,20,22,23)
InChIKeyPGPLPMLYXHYPFP-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.18
Rot. Bonds8

About 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine

7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 167689185) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID167689185
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(CCC)Oc1nc(N)c2ncc(CC3CCCCC3)n2n1
InChIInChI=1S/C19H31N5O/c1-3-8-16(9-4-2)25-19-22-17(20)18-21-13-15(24(18)23-19)12-14-10-6-5-7-11-14/h13-14,16H,3-12H2,1-2H3,(H2,20,22,23)
InChIKeyPGPLPMLYXHYPFP-UHFFFAOYSA-N
XLogP4.18
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777756
2-pentan-2-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777697
[3-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexyl]methanol
CID 167627587
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-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167656042
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-[[1-[2-(methylamino)ethyl]piperidin-4-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 165153513
7-[(3,5-dimethylcyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167627588
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
7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167689182

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine (CID 167689185) is 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine is CCCC(CCC)Oc1nc(N)c2ncc(CC3CCCCC3)n2n1.
What is the InChIKey of 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PGPLPMLYXHYPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-3-8-16(9-4-2)25-19-22-17(20)18-21-13-15(24(18)23-19)12-14-10-6-5-7-11-14/h13-14,16H,3-12H2,1-2H3,(H2,20,22,23).
What are the key properties of 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 345.49 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 167689185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).