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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Related Compounds

3-(4-ethoxyphenyl)-N-[1-(3-methoxypropyl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 71668072
3-(4-methoxyphenyl)-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 118659253
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
5-[4-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrazol-1-yl]pentan-1-ol
CID 123417343
3-(4-ethoxyphenyl)-N-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 71667042
3-N-[3-(3,5-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]benzene-1,3-diamine
CID 70338594
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
3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride
CID 90390001
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
3-(4-methoxyphenyl)-N-[(1R,3S)-3-(trimethyl-λ4-sulfanyl)cyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 118668260
1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol
CID 90389778

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).