7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine

C17H25N5O2 — CID 167689182

IUPAC7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1nc(OCC2CCOC2)nn2c(CC3CCCCC3)cnc12
InChIInChI=1S/C17H25N5O2/c18-15-16-19-9-14(8-12-4-2-1-3-5-12)22(16)21-17(20-15)24-11-13-6-7-23-10-13/h9,12-13H,1-8,10-11H2,(H2,18,20,21)
InChIKeyPDCXHRORGOYHLB-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.24
Rot. Bonds5

About 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine

7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 167689182) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID167689182
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1nc(OCC2CCOC2)nn2c(CC3CCCCC3)cnc12
InChIInChI=1S/C17H25N5O2/c18-15-16-19-9-14(8-12-4-2-1-3-5-12)22(16)21-17(20-15)24-11-13-6-7-23-10-13/h9,12-13H,1-8,10-11H2,(H2,18,20,21)
InChIKeyPDCXHRORGOYHLB-UHFFFAOYSA-N
XLogP2.24
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167656042
7-(cyclohexylmethyl)-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167689185
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-[[4-amino-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]cyclohexan-1-ol
CID 167637013
2-[(2S)-pentan-2-yl]oxy-7-[(1-pentylpiperidin-4-yl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167562973
2-[4-amino-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-2-yl]oxypentan-1-ol
CID 155777792
7-[[1-[2-(methylamino)ethyl]piperidin-4-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 165153513
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-[(3,5-dimethylcyclohexyl)methyl]-2-[(2S)-pentan-2-yl]oxyimidazo[2,1-f][1,2,4]triazin-4-amine
CID 167627588
2-(1-phenylpentan-2-yloxy)-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777756
4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
CID 80873031

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 167689182) is 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine is Nc1nc(OCC2CCOC2)nn2c(CC3CCCCC3)cnc12.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PDCXHRORGOYHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c18-15-16-19-9-14(8-12-4-2-1-3-5-12)22(16)21-17(20-15)24-11-13-6-7-23-10-13/h9,12-13H,1-8,10-11H2,(H2,18,20,21).
What are the key properties of 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?
7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 331.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 167689182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).