4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine

C20H24N8 — CID 67122143

IUPAC4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine
SMILESCC[C@@H]1c2nncn2-c2cnc(-c3ccnc(NC)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H24N8/c1-3-15-20-26-24-12-27(20)16-11-23-18(13-8-9-22-17(10-13)21-2)25-19(16)28(15)14-6-4-5-7-14/h8-12,14-15H,3-7H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyFSCHXUQQWDXFNL-OAHLLOKOSA-N
MW376.47 g/mol
LogP3.37
Rot. Bonds4

About 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine

4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine (PubChem CID 67122143) has the molecular formula C20H24N8 and a molecular weight of 376.47 g/mol. Its IUPAC name is 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine
PubChem CID67122143
Molecular FormulaC20H24N8
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine
SMILESCC[C@@H]1c2nncn2-c2cnc(-c3ccnc(NC)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H24N8/c1-3-15-20-26-24-12-27(20)16-11-23-18(13-8-9-22-17(10-13)21-2)25-19(16)28(15)14-6-4-5-7-14/h8-12,14-15H,3-7H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyFSCHXUQQWDXFNL-OAHLLOKOSA-N
XLogP3.37
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine (CID 67122143) is 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine is CC[C@@H]1c2nncn2-c2cnc(-c3ccnc(NC)c3)nc2N1C1CCCC1.
What is the InChIKey of 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine?
The InChIKey is FSCHXUQQWDXFNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N8/c1-3-15-20-26-24-12-27(20)16-11-23-18(13-8-9-22-17(10-13)21-2)25-19(16)28(15)14-6-4-5-7-14/h8-12,14-15H,3-7H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine?
4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine has a molecular weight of 376.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 67122143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).