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

C19H20N8O2 — CID 71667184

IUPAC3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCOc1ccc(-n2nnc3cnc(Nc4cnn(C5CCOCC5)c4)nc32)cc1
InChIInChI=1S/C19H20N8O2/c1-28-16-4-2-15(3-5-16)27-18-17(24-25-27)11-20-19(23-18)22-13-10-21-26(12-13)14-6-8-29-9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H,20,22,23)
InChIKeySNADXKVNPMPCNI-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.51
Rot. Bonds5

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

3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 71667184) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID71667184
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCOc1ccc(-n2nnc3cnc(Nc4cnn(C5CCOCC5)c4)nc32)cc1
InChIInChI=1S/C19H20N8O2/c1-28-16-4-2-15(3-5-16)27-18-17(24-25-27)11-20-19(23-18)22-13-10-21-26(12-13)14-6-8-29-9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H,20,22,23)
InChIKeySNADXKVNPMPCNI-UHFFFAOYSA-N
XLogP2.51
TPSA104.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine (CID 71667184) is 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine is COc1ccc(-n2nnc3cnc(Nc4cnn(C5CCOCC5)c4)nc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is SNADXKVNPMPCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-28-16-4-2-15(3-5-16)27-18-17(24-25-27)11-20-19(23-18)22-13-10-21-26(12-13)14-6-8-29-9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H,20,22,23).
What are the key properties of 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine?
3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 392.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 71667184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).