3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine

C15H14N8O — CID 71667332

IUPAC3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCOc1ccc(-n2nnc3cnc(Nc4cnn(C)c4)nc32)cc1
InChIInChI=1S/C15H14N8O/c1-22-9-10(7-17-22)18-15-16-8-13-14(19-15)23(21-20-13)11-3-5-12(24-2)6-4-11/h3-9H,1-2H3,(H,16,18,19)
InChIKeyGJAPQWAPTLQJQF-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.70
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine

3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 71667332) has the molecular formula C15H14N8O and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID71667332
Molecular FormulaC15H14N8O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESCOc1ccc(-n2nnc3cnc(Nc4cnn(C)c4)nc32)cc1
InChIInChI=1S/C15H14N8O/c1-22-9-10(7-17-22)18-15-16-8-13-14(19-15)23(21-20-13)11-3-5-12(24-2)6-4-11/h3-9H,1-2H3,(H,16,18,19)
InChIKeyGJAPQWAPTLQJQF-UHFFFAOYSA-N
XLogP1.70
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 71667332) is 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine is COc1ccc(-n2nnc3cnc(Nc4cnn(C)c4)nc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is GJAPQWAPTLQJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8O/c1-22-9-10(7-17-22)18-15-16-8-13-14(19-15)23(21-20-13)11-3-5-12(24-2)6-4-11/h3-9H,1-2H3,(H,16,18,19).
What are the key properties of 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine?
3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 322.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 71667332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).