7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C18H14ClN5O — CID 126648893

IUPAC7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(-c3ccccc3Cl)c2)c2n[nH]nc2n1
InChIInChI=1S/C18H14ClN5O/c19-14-7-2-1-6-13(14)12-5-3-4-11(8-12)10-25-15-9-16(20)21-18-17(15)22-24-23-18/h1-9H,10H2,(H3,20,21,22,23,24)
InChIKeyPDVXFAFDZRLJIK-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.83
Rot. Bonds4

About 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126648893) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126648893
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(OCc2cccc(-c3ccccc3Cl)c2)c2n[nH]nc2n1
InChIInChI=1S/C18H14ClN5O/c19-14-7-2-1-6-13(14)12-5-3-4-11(8-12)10-25-15-9-16(20)21-18-17(15)22-24-23-18/h1-9H,10H2,(H3,20,21,22,23,24)
InChIKeyPDVXFAFDZRLJIK-UHFFFAOYSA-N
XLogP3.83
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[3-(4-phenylphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649018
7-[[2-fluoro-3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649071
7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950021
7-[[3-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649084
2-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-chlorophenyl]-N,N-dimethylbenzenesulfonamide
CID 126648871
7-[[3-(5-fluoro-3-pyridinyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649157
7-[[2,6-difluoro-3-(2-methoxyphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648804
methyl 3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-chlorobenzoate
CID 126648880
4-[[3-(2-fluorophenyl)phenyl]methoxy]-6-hydrazinylpyridine-2,5-diamine
CID 126678935
7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145039452
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
7-[(2-methyl-4-pyridin-3-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 160912493

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126648893) is 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(OCc2cccc(-c3ccccc3Cl)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is PDVXFAFDZRLJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c19-14-7-2-1-6-13(14)12-5-3-4-11(8-12)10-25-15-9-16(20)21-18-17(15)22-24-23-18/h1-9H,10H2,(H3,20,21,22,23,24).
What are the key properties of 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 351.80 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(2-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126648893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).