[6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol

C12H12N6OS — CID 130365149

IUPAC[6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol
SMILESNc1cc(SCc2cccc(CO)n2)c2n[nH]nc2n1
InChIInChI=1S/C12H12N6OS/c13-10-4-9(11-12(15-10)17-18-16-11)20-6-8-3-1-2-7(5-19)14-8/h1-4,19H,5-6H2,(H3,13,15,16,17,18)
InChIKeyDZXSMWAXULAICV-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.11
Rot. Bonds4

About [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol

[6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol (PubChem CID 130365149) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol
PubChem CID130365149
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name[6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol
SMILESNc1cc(SCc2cccc(CO)n2)c2n[nH]nc2n1
InChIInChI=1S/C12H12N6OS/c13-10-4-9(11-12(15-10)17-18-16-11)20-6-8-3-1-2-7(5-19)14-8/h1-4,19H,5-6H2,(H3,13,15,16,17,18)
InChIKeyDZXSMWAXULAICV-UHFFFAOYSA-N
XLogP1.11
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US10981879, Example 126
CID 118949246
US10981879, Example 46
CID 130365235
US10981879, Example 27
CID 130365303
7-[(7-phenyl-2,3-dihydrooxepin-5-yl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 135266871
[6-[(2,3,6-Triamino-4-pyridinyl)sulfanylmethyl]-2-pyridinyl]methanol
CID 145039509

Frequently Asked Questions

What is the IUPAC name of [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol (CID 130365149) is [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol is Nc1cc(SCc2cccc(CO)n2)c2n[nH]nc2n1.
What is the InChIKey of [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol?
The InChIKey is DZXSMWAXULAICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c13-10-4-9(11-12(15-10)17-18-16-11)20-6-8-3-1-2-7(5-19)14-8/h1-4,19H,5-6H2,(H3,13,15,16,17,18).
What are the key properties of [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol?
[6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol has a molecular weight of 288.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-2-pyridinyl]methanol is sourced from PubChem (CID 130365149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).