3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine

C19H20N8O2 — CID 90390367

IUPAC3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCOCCOc1ccc(-n2nnc3cnc(NCc4cnc(C)cn4)nc32)cc1
InChIInChI=1S/C19H20N8O2/c1-13-9-21-14(10-20-13)11-22-19-23-12-17-18(24-19)27(26-25-17)15-3-5-16(6-4-15)29-8-7-28-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23,24)
InChIKeyWRPFFULJQGONMB-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.95
Rot. Bonds8

About 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine

3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 90390367) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID90390367
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCOCCOc1ccc(-n2nnc3cnc(NCc4cnc(C)cn4)nc32)cc1
InChIInChI=1S/C19H20N8O2/c1-13-9-21-14(10-20-13)11-22-19-23-12-17-18(24-19)27(26-25-17)15-3-5-16(6-4-15)29-8-7-28-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23,24)
InChIKeyWRPFFULJQGONMB-UHFFFAOYSA-N
XLogP1.95
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-[4-(2-ethoxyethoxy)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 129094398
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
1-N-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]pent-4-ene-1,4-diamine
CID 144695340
3-(4-ethoxyphenyl)-N-[2-(2H-pyrrol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-5-amine
CID 159487678
3-(4-ethoxyphenyl)-N-[1-(3-methoxypropyl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 71668072
3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 71667332
[(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentyl]-(2-methoxyethylamino)methanol
CID 129108990
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
trans-(1R,3R)-3-[[3-[4-(3-hydroxy-3-methoxypropoxy)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxamide
CID 129109003
1-[4-[5-(cyclopentylamino)triazolo[4,5-d]pyrimidin-3-yl]phenoxy]-2-methylpropan-2-ol;formaldehyde
CID 144695452
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389604
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine (CID 90390367) is 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine is COCCOc1ccc(-n2nnc3cnc(NCc4cnc(C)cn4)nc32)cc1.
What is the InChIKey of 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is WRPFFULJQGONMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-13-9-21-14(10-20-13)11-22-19-23-12-17-18(24-19)27(26-25-17)15-3-5-16(6-4-15)29-8-7-28-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23,24).
What are the key properties of 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine?
3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 392.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 90390367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).