N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine

C21H21N7 — CID 129109006

IUPACN-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1ccc(-c2ccc(-n3nnc4cnc(NC5CCCC5)nc43)cc2)cn1
InChIInChI=1S/C21H21N7/c1-14-6-7-16(12-22-14)15-8-10-18(11-9-15)28-20-19(26-27-28)13-23-21(25-20)24-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,23,24,25)
InChIKeyFYLDKBGVYLDTJE-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.94
Rot. Bonds4

About N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine

N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 129109006) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID129109006
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1ccc(-c2ccc(-n3nnc4cnc(NC5CCCC5)nc43)cc2)cn1
InChIInChI=1S/C21H21N7/c1-14-6-7-16(12-22-14)15-8-10-18(11-9-15)28-20-19(26-27-28)13-23-21(25-20)24-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,23,24,25)
InChIKeyFYLDKBGVYLDTJE-UHFFFAOYSA-N
XLogP3.94
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine (CID 129109006) is N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine is Cc1ccc(-c2ccc(-n3nnc4cnc(NC5CCCC5)nc43)cc2)cn1.
What is the InChIKey of N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is FYLDKBGVYLDTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-14-6-7-16(12-22-14)15-8-10-18(11-9-15)28-20-19(26-27-28)13-23-21(25-20)24-17-4-2-3-5-17/h6-13,17H,2-5H2,1H3,(H,23,24,25).
What are the key properties of N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 371.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 129109006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).