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

C19H24N6O2 — CID 129094398

IUPACN-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCCOCCOc1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cc1
InChIInChI=1S/C19H24N6O2/c1-2-26-11-12-27-16-9-7-15(8-10-16)25-18-17(23-24-25)13-20-19(22-18)21-14-5-3-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,21,22)
InChIKeyZFMCODXSBOBQRR-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.98
Rot. Bonds8

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

N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 129094398) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID129094398
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCCOCCOc1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cc1
InChIInChI=1S/C19H24N6O2/c1-2-26-11-12-27-16-9-7-15(8-10-16)25-18-17(23-24-25)13-20-19(22-18)21-14-5-3-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,21,22)
InChIKeyZFMCODXSBOBQRR-UHFFFAOYSA-N
XLogP2.98
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
N-cyclopentyl-3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094339
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389604
1-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]phenoxy]-2-methylpropan-2-ol;formaldehyde
CID 144695452
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 90389644
N-cyclopentyl-3-[4-(6-methyl-3-pyridinyl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129109006
carbamic acid;(2R)-3-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 129094426
3-(4-methoxyphenyl)-N-[(1S,3S)-3-methylcyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 90397889
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737
[(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentyl]-(2-methoxyethylamino)methanol
CID 129108990
trans-(1R,3R)-3-[[3-[4-[1-(2-ethoxyethyl)pyrazol-4-yl]phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 86279585

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine (CID 129094398) is N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine is CCOCCOc1ccc(-n2nnc3cnc(NC4CCCC4)nc32)cc1.
What is the InChIKey of N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is ZFMCODXSBOBQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-2-26-11-12-27-16-9-7-15(8-10-16)25-18-17(23-24-25)13-20-19(22-18)21-14-5-3-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,20,21,22).
What are the key properties of N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 368.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 129094398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).