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

C17H14ClN7O — CID 118949330

IUPAC7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1nc(-c2ccc(Cl)cc2)ncc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C17H14ClN7O/c1-9-11(7-20-16(21-9)10-2-4-12(18)5-3-10)8-26-13-6-14(19)22-17-15(13)23-25-24-17/h2-7H,8H2,1H3,(H3,19,22,23,24,25)
InChIKeyIWLNLDKREPDDDC-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.93
Rot. Bonds4

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

7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949330) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949330
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC Name7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1nc(-c2ccc(Cl)cc2)ncc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C17H14ClN7O/c1-9-11(7-20-16(21-9)10-2-4-12(18)5-3-10)8-26-13-6-14(19)22-17-15(13)23-25-24-17/h2-7H,8H2,1H3,(H3,19,22,23,24,25)
InChIKeyIWLNLDKREPDDDC-UHFFFAOYSA-N
XLogP2.93
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-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-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949330) is 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1nc(-c2ccc(Cl)cc2)ncc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is IWLNLDKREPDDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c1-9-11(7-20-16(21-9)10-2-4-12(18)5-3-10)8-26-13-6-14(19)22-17-15(13)23-25-24-17/h2-7H,8H2,1H3,(H3,19,22,23,24,25).
What are the key properties of 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 367.80 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-chlorophenyl)-4-methylpyrimidin-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).