7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C16H16N8O — CID 118950021

IUPAC7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1nn(Cc2ccccc2)nc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C16H16N8O/c1-10-12(22-24(21-10)8-11-5-3-2-4-6-11)9-25-13-7-14(17)18-16-15(13)19-23-20-16/h2-7H,8-9H2,1H3,(H3,17,18,19,20,23)
InChIKeyCHGWDJXGIKQJFI-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.46
Rot. Bonds5

About 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118950021) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118950021
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1nn(Cc2ccccc2)nc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C16H16N8O/c1-10-12(22-24(21-10)8-11-5-3-2-4-6-11)9-25-13-7-14(17)18-16-15(13)19-23-20-16/h2-7H,8-9H2,1H3,(H3,17,18,19,20,23)
InChIKeyCHGWDJXGIKQJFI-UHFFFAOYSA-N
XLogP1.46
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118950021) is 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1nn(Cc2ccccc2)nc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is CHGWDJXGIKQJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c1-10-12(22-24(21-10)8-11-5-3-2-4-6-11)9-25-13-7-14(17)18-16-15(13)19-23-20-16/h2-7H,8-9H2,1H3,(H3,17,18,19,20,23).
What are the key properties of 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 336.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-benzyl-5-methyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118950021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).