N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C17H15N7OS — CID 8005935

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccccc1CSc1ncn[nH]1
InChIInChI=1S/C17H15N7OS/c25-16(18-9-15-22-21-14-7-3-4-8-24(14)15)13-6-2-1-5-12(13)10-26-17-19-11-20-23-17/h1-8,11H,9-10H2,(H,18,25)(H,19,20,23)
InChIKeyICKBHDXFANIHNG-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.07
Rot. Bonds6

About N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 8005935) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID8005935
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccccc1CSc1ncn[nH]1
InChIInChI=1S/C17H15N7OS/c25-16(18-9-15-22-21-14-7-3-4-8-24(14)15)13-6-2-1-5-12(13)10-26-17-19-11-20-23-17/h1-8,11H,9-10H2,(H,18,25)(H,19,20,23)
InChIKeyICKBHDXFANIHNG-UHFFFAOYSA-N
XLogP2.07
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 8005935) is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1ccccc1CSc1ncn[nH]1.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is ICKBHDXFANIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS/c25-16(18-9-15-22-21-14-7-3-4-8-24(14)15)13-6-2-1-5-12(13)10-26-17-19-11-20-23-17/h1-8,11H,9-10H2,(H,18,25)(H,19,20,23).
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 365.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 8005935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).