7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C19H16N8O — CID 126649812

IUPAC7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cc(-c4ccccc4)on3)c2)c2n[nH]nc2n1
InChIInChI=1S/C19H16N8O/c20-17-7-14(18-19(22-17)24-26-23-18)6-12-9-21-27(10-12)11-15-8-16(28-25-15)13-4-2-1-3-5-13/h1-5,7-10H,6,11H2,(H3,20,22,23,24,26)
InChIKeyQVPVGWLTJXWTQN-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.43
Rot. Bonds5

About 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649812) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649812
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cc(-c4ccccc4)on3)c2)c2n[nH]nc2n1
InChIInChI=1S/C19H16N8O/c20-17-7-14(18-19(22-17)24-26-23-18)6-12-9-21-27(10-12)11-15-8-16(28-25-15)13-4-2-1-3-5-13/h1-5,7-10H,6,11H2,(H3,20,22,23,24,26)
InChIKeyQVPVGWLTJXWTQN-UHFFFAOYSA-N
XLogP2.43
TPSA124.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649812) is 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cnn(Cc3cc(-c4ccccc4)on3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is QVPVGWLTJXWTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c20-17-7-14(18-19(22-17)24-26-23-18)6-12-9-21-27(10-12)11-15-8-16(28-25-15)13-4-2-1-3-5-13/h1-5,7-10H,6,11H2,(H3,20,22,23,24,26).
What are the key properties of 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 372.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).