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

C19H22N8 — CID 66979234

IUPAC4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
SMILESCCC1c2nncn2-c2cnc(-c3ccncc3N)nc2N1C1CCCC1
InChIInChI=1S/C19H22N8/c1-2-15-19-25-23-11-26(19)16-10-22-17(13-7-8-21-9-14(13)20)24-18(16)27(15)12-5-3-4-6-12/h7-12,15H,2-6,20H2,1H3
InChIKeyHFGFHFOSOLAQTF-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.92
Rot. Bonds3

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

4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine (PubChem CID 66979234) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
PubChem CID66979234
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
SMILESCCC1c2nncn2-c2cnc(-c3ccncc3N)nc2N1C1CCCC1
InChIInChI=1S/C19H22N8/c1-2-15-19-25-23-11-26(19)16-10-22-17(13-7-8-21-9-14(13)20)24-18(16)27(15)12-5-3-4-6-12/h7-12,15H,2-6,20H2,1H3
InChIKeyHFGFHFOSOLAQTF-UHFFFAOYSA-N
XLogP2.92
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine?
The IUPAC name of 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine (CID 66979234) is 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine.
What is the SMILES notation for 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine?
The canonical SMILES for 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine is CCC1c2nncn2-c2cnc(-c3ccncc3N)nc2N1C1CCCC1.
What is the InChIKey of 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine?
The InChIKey is HFGFHFOSOLAQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-2-15-19-25-23-11-26(19)16-10-22-17(13-7-8-21-9-14(13)20)24-18(16)27(15)12-5-3-4-6-12/h7-12,15H,2-6,20H2,1H3.
What are the key properties of 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine?
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine has a molecular weight of 362.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine is sourced from PubChem (CID 66979234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).