N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine

C17H20N6 — CID 10662600

IUPACN-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(CCn2nnc3c(NC4CCCC4)ncnc32)cc1
InChIInChI=1S/C17H20N6/c1-2-6-13(7-3-1)10-11-23-17-15(21-22-23)16(18-12-19-17)20-14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-11H2,(H,18,19,20)
InChIKeyQTFQTYFNOCOJGM-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.82
Rot. Bonds5

About N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine

N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 10662600) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID10662600
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(CCn2nnc3c(NC4CCCC4)ncnc32)cc1
InChIInChI=1S/C17H20N6/c1-2-6-13(7-3-1)10-11-23-17-15(21-22-23)16(18-12-19-17)20-14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-11H2,(H,18,19,20)
InChIKeyQTFQTYFNOCOJGM-UHFFFAOYSA-N
XLogP2.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 10662600) is N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine is c1ccc(CCn2nnc3c(NC4CCCC4)ncnc32)cc1.
What is the InChIKey of N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QTFQTYFNOCOJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-6-13(7-3-1)10-11-23-17-15(21-22-23)16(18-12-19-17)20-14-8-4-5-9-14/h1-3,6-7,12,14H,4-5,8-11H2,(H,18,19,20).
What are the key properties of N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine?
N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 308.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 10662600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).