7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

C23H23N5O — CID 11501900

IUPAC7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCCC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C23H23N5O/c24-22-21-20(27-23(17-9-4-5-10-17)28(21)26-15-25-22)18-11-6-12-19(13-18)29-14-16-7-2-1-3-8-16/h1-3,6-8,11-13,15,17H,4-5,9-10,14H2,(H2,24,25,26)
InChIKeyTYCIWDMGYSEZFE-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.61
Rot. Bonds5

About 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 11501900) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID11501900
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCCC3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C23H23N5O/c24-22-21-20(27-23(17-9-4-5-10-17)28(21)26-15-25-22)18-11-6-12-19(13-18)29-14-16-7-2-1-3-8-16/h1-3,6-8,11-13,15,17H,4-5,9-10,14H2,(H2,24,25,26)
InChIKeyTYCIWDMGYSEZFE-UHFFFAOYSA-N
XLogP4.61
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 11501900) is 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CCCC3)nc(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is TYCIWDMGYSEZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c24-22-21-20(27-23(17-9-4-5-10-17)28(21)26-15-25-22)18-11-6-12-19(13-18)29-14-16-7-2-1-3-8-16/h1-3,6-8,11-13,15,17H,4-5,9-10,14H2,(H2,24,25,26).
What are the key properties of 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 385.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 11501900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).