7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C17H17N7O — CID 159251011

IUPAC7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1cn(-c2ccc(COc3cc(N)nc4n[nH]nc34)c(C)c2)cn1
InChIInChI=1S/C17H17N7O/c1-10-5-13(24-7-11(2)19-9-24)4-3-12(10)8-25-14-6-15(18)20-17-16(14)21-23-22-17/h3-7,9H,8H2,1-2H3,(H3,18,20,21,22,23)
InChIKeyKVHJTYMVVVTNLP-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.32
Rot. Bonds4

About 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 159251011) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID159251011
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1cn(-c2ccc(COc3cc(N)nc4n[nH]nc34)c(C)c2)cn1
InChIInChI=1S/C17H17N7O/c1-10-5-13(24-7-11(2)19-9-24)4-3-12(10)8-25-14-6-15(18)20-17-16(14)21-23-22-17/h3-7,9H,8H2,1-2H3,(H3,18,20,21,22,23)
InChIKeyKVHJTYMVVVTNLP-UHFFFAOYSA-N
XLogP2.32
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 159251011) is 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1cn(-c2ccc(COc3cc(N)nc4n[nH]nc34)c(C)c2)cn1.
What is the InChIKey of 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is KVHJTYMVVVTNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-10-5-13(24-7-11(2)19-9-24)4-3-12(10)8-25-14-6-15(18)20-17-16(14)21-23-22-17/h3-7,9H,8H2,1-2H3,(H3,18,20,21,22,23).
What are the key properties of 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 335.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-methyl-4-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 159251011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).