5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

C21H25N7O2 — CID 155542002

IUPAC5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)Cc2nnc(C)n2-3)cc1OC
InChIInChI=1S/C21H25N7O2/c1-13-25-26-19-12-27(15-6-4-5-7-15)20-16(28(13)19)11-22-21(24-20)23-14-8-9-17(29-2)18(10-14)30-3/h8-11,15H,4-7,12H2,1-3H3,(H,22,23,24)
InChIKeyYLIHYVXDOCIXHC-UHFFFAOYSA-N
MW407.48 g/mol
LogP3.39
Rot. Bonds5

About 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (PubChem CID 155542002) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
PubChem CID155542002
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCOc1ccc(Nc2ncc3c(n2)N(C2CCCC2)Cc2nnc(C)n2-3)cc1OC
InChIInChI=1S/C21H25N7O2/c1-13-25-26-19-12-27(15-6-4-5-7-15)20-16(28(13)19)11-22-21(24-20)23-14-8-9-17(29-2)18(10-14)30-3/h8-11,15H,4-7,12H2,1-3H3,(H,22,23,24)
InChIKeyYLIHYVXDOCIXHC-UHFFFAOYSA-N
XLogP3.39
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The IUPAC name of 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (CID 155542002) is 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.
What is the SMILES notation for 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The canonical SMILES for 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is COc1ccc(Nc2ncc3c(n2)N(C2CCCC2)Cc2nnc(C)n2-3)cc1OC.
What is the InChIKey of 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The InChIKey is YLIHYVXDOCIXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-13-25-26-19-12-27(15-6-4-5-7-15)20-16(28(13)19)11-22-21(24-20)23-14-8-9-17(29-2)18(10-14)30-3/h8-11,15H,4-7,12H2,1-3H3,(H,22,23,24).
What are the key properties of 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine has a molecular weight of 407.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-(3,4-dimethoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is sourced from PubChem (CID 155542002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).