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

C18H27N5O2 — CID 167656042

IUPAC7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1nc(OCC2CCOCC2)nn2c(CC3CCCCC3)cnc12
InChIInChI=1S/C18H27N5O2/c19-16-17-20-11-15(10-13-4-2-1-3-5-13)23(17)22-18(21-16)25-12-14-6-8-24-9-7-14/h11,13-14H,1-10,12H2,(H2,19,21,22)
InChIKeyKYPLNMHQZHGVOJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.63
Rot. Bonds5

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

7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 167656042) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID167656042
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1nc(OCC2CCOCC2)nn2c(CC3CCCCC3)cnc12
InChIInChI=1S/C18H27N5O2/c19-16-17-20-11-15(10-13-4-2-1-3-5-13)23(17)22-18(21-16)25-12-14-6-8-24-9-7-14/h11,13-14H,1-10,12H2,(H2,19,21,22)
InChIKeyKYPLNMHQZHGVOJ-UHFFFAOYSA-N
XLogP2.63
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(cyclohexylmethyl)-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 167689182
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-[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-[[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-ethoxy-6-(oxan-4-ylmethoxy)-1,3,5-triazin-2-amine
CID 80878655

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 167656042) is 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine is Nc1nc(OCC2CCOCC2)nn2c(CC3CCCCC3)cnc12.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KYPLNMHQZHGVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c19-16-17-20-11-15(10-13-4-2-1-3-5-13)23(17)22-18(21-16)25-12-14-6-8-24-9-7-14/h11,13-14H,1-10,12H2,(H2,19,21,22).
What are the key properties of 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?
7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(oxan-4-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 167656042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).