7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

C16H16N8OS — CID 130365214

IUPAC7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1cccc(-n2nc(C)c(CSc3cc(N)nc4n[nH]nc34)n2)c1
InChIInChI=1S/C16H16N8OS/c1-9-12(22-24(21-9)10-4-3-5-11(6-10)25-2)8-26-13-7-14(17)18-16-15(13)19-23-20-16/h3-7H,8H2,1-2H3,(H3,17,18,19,20,23)
InChIKeyXDHKVMNJJAELDU-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.13
Rot. Bonds5

About 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365214) has the molecular formula C16H16N8OS and a molecular weight of 368.43 g/mol. Its IUPAC name is 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365214
Molecular FormulaC16H16N8OS
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1cccc(-n2nc(C)c(CSc3cc(N)nc4n[nH]nc34)n2)c1
InChIInChI=1S/C16H16N8OS/c1-9-12(22-24(21-9)10-4-3-5-11(6-10)25-2)8-26-13-7-14(17)18-16-15(13)19-23-20-16/h3-7H,8H2,1-2H3,(H3,17,18,19,20,23)
InChIKeyXDHKVMNJJAELDU-UHFFFAOYSA-N
XLogP2.13
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 162659557
US10981879, Example 7
CID 130365231
US10981879, Example 29
CID 130365275
US10981879, Example 9
CID 130365213
3-(12-Thia-3,4,5,6,8-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaen-7-yloxy)aniline
CID 70687070
N-(3-methoxyphenyl)-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 16896466
2-((3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetamide
CID 7163523
N-(3-methoxyphenyl)-2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 7190352
N-(3-methoxyphenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 10473008
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-methylthieno[3,2-d]pyrimidin-4-amine
CID 16224766
7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950249
7-[[2-(4-methoxyphenyl)-5-methyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950264

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365214) is 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is COc1cccc(-n2nc(C)c(CSc3cc(N)nc4n[nH]nc34)n2)c1.
What is the InChIKey of 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is XDHKVMNJJAELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8OS/c1-9-12(22-24(21-9)10-4-3-5-11(6-10)25-2)8-26-13-7-14(17)18-16-15(13)19-23-20-16/h3-7H,8H2,1-2H3,(H3,17,18,19,20,23).
What are the key properties of 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 368.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-methoxyphenyl)-5-methyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).