7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

C27H31N5O4 — CID 12052746

IUPAC7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C4CCCC4)n3n2)cc1
InChIInChI=1S/C27H31N5O4/c1-16-23-26(29-19-14-21(34-3)24(36-5)22(15-19)35-4)30-25(17-10-12-20(33-2)13-11-17)31-32(23)27(28-16)18-8-6-7-9-18/h10-15,18H,6-9H2,1-5H3,(H,29,30,31)
InChIKeyOCYPCZCPYWTUJN-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.54
Rot. Bonds8

About 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 12052746) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID12052746
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C4CCCC4)n3n2)cc1
InChIInChI=1S/C27H31N5O4/c1-16-23-26(29-19-14-21(34-3)24(36-5)22(15-19)35-4)30-25(17-10-12-20(33-2)13-11-17)31-32(23)27(28-16)18-8-6-7-9-18/h10-15,18H,6-9H2,1-5H3,(H,29,30,31)
InChIKeyOCYPCZCPYWTUJN-UHFFFAOYSA-N
XLogP5.54
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 12052746) is 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is COc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C4CCCC4)n3n2)cc1.
What is the InChIKey of 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is OCYPCZCPYWTUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-16-23-26(29-19-14-21(34-3)24(36-5)22(15-19)35-4)30-25(17-10-12-20(33-2)13-11-17)31-32(23)27(28-16)18-8-6-7-9-18/h10-15,18H,6-9H2,1-5H3,(H,29,30,31).
What are the key properties of 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 489.58 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(4-methoxyphenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 12052746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).