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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2,6-dichloro-4-pyridinyl)methoxy]-2H-triazolo[4,5-d]pyrimidin-5-amine
CID 130365922
7-[(4-methoxyphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 135341277
7-[[3-(4-phenylphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649018
4-methoxy-6-(4-methylphenyl)pteridin-2-amine
CID 141068601
4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine
CID 68775587
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine
CID 68779202
7-[(2-methyl-4-pyridin-3-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 160912493
4-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 104877368
3-(4-methoxyphenyl)-5-propan-2-ylpyridine
CID 59144720
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
6-(4-methoxyphenyl)-4-piperazin-1-ylpteridin-2-amine
CID 11461849

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).