7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine

C17H15N7O2 — CID 130365920

IUPAC7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESCOc1ccc(-c2cncc(COc3nc(N)nc4n[nH]nc34)c2)cc1
InChIInChI=1S/C17H15N7O2/c1-25-13-4-2-11(3-5-13)12-6-10(7-19-8-12)9-26-16-14-15(23-24-22-14)20-17(18)21-16/h2-8H,9H2,1H3,(H3,18,20,21,22,23,24)
InChIKeyUCRXIOWNFHEOPR-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.98
Rot. Bonds5

About 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine

7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 130365920) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID130365920
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESCOc1ccc(-c2cncc(COc3nc(N)nc4n[nH]nc34)c2)cc1
InChIInChI=1S/C17H15N7O2/c1-25-13-4-2-11(3-5-13)12-6-10(7-19-8-12)9-26-16-14-15(23-24-22-14)20-17(18)21-16/h2-8H,9H2,1H3,(H3,18,20,21,22,23,24)
InChIKeyUCRXIOWNFHEOPR-UHFFFAOYSA-N
XLogP1.98
TPSA124.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine (CID 130365920) is 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine is COc1ccc(-c2cncc(COc3nc(N)nc4n[nH]nc34)c2)cc1.
What is the InChIKey of 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is UCRXIOWNFHEOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-25-13-4-2-11(3-5-13)12-6-10(7-19-8-12)9-26-16-14-15(23-24-22-14)20-17(18)21-16/h2-8H,9H2,1H3,(H3,18,20,21,22,23,24).
What are the key properties of 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine?
7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 349.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-methoxyphenyl)-3-pyridinyl]methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 130365920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).