7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C15H14N8 — CID 126676279

IUPAC7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1cccc(-n2cc(Cc3cc(N)nc4n[nH]nc34)cn2)n1
InChIInChI=1S/C15H14N8/c1-9-3-2-4-13(18-9)23-8-10(7-17-23)5-11-6-12(16)19-15-14(11)20-22-21-15/h2-4,6-8H,5H2,1H3,(H3,16,19,20,21,22)
InChIKeyWEGOAWXGPONRKH-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.42
Rot. Bonds3

About 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126676279) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126676279
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCc1cccc(-n2cc(Cc3cc(N)nc4n[nH]nc34)cn2)n1
InChIInChI=1S/C15H14N8/c1-9-3-2-4-13(18-9)23-8-10(7-17-23)5-11-6-12(16)19-15-14(11)20-22-21-15/h2-4,6-8H,5H2,1H3,(H3,16,19,20,21,22)
InChIKeyWEGOAWXGPONRKH-UHFFFAOYSA-N
XLogP1.42
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126676279) is 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Cc1cccc(-n2cc(Cc3cc(N)nc4n[nH]nc34)cn2)n1.
What is the InChIKey of 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WEGOAWXGPONRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8/c1-9-3-2-4-13(18-9)23-8-10(7-17-23)5-11-6-12(16)19-15-14(11)20-22-21-15/h2-4,6-8H,5H2,1H3,(H3,16,19,20,21,22).
What are the key properties of 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 306.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(6-methyl-2-pyridinyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126676279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).