4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine

C11H11N7OS — CID 61468949

IUPAC4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCc1nc(-c2ccccn2)no1
InChIInChI=1S/C11H11N7OS/c1-18-10(12)15-16-11(18)20-6-8-14-9(17-19-8)7-4-2-3-5-13-7/h2-5H,6H2,1H3,(H2,12,15)
InChIKeyGNIOZDZZEOCSPB-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.13
Rot. Bonds4

About 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine

4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine (PubChem CID 61468949) has the molecular formula C11H11N7OS and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
PubChem CID61468949
Molecular FormulaC11H11N7OS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Name4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCc1nc(-c2ccccn2)no1
InChIInChI=1S/C11H11N7OS/c1-18-10(12)15-16-11(18)20-6-8-14-9(17-19-8)7-4-2-3-5-13-7/h2-5H,6H2,1H3,(H2,12,15)
InChIKeyGNIOZDZZEOCSPB-UHFFFAOYSA-N
XLogP1.13
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678785
3-methyl-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43302926
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine
CID 66235085
5-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7814862
5-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 55572238
2-methyl-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 81223443
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
3-(4-ethoxyphenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 3902949
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 61036474
2-methyl-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 64917118
4-propan-2-yl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 63089919

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine (CID 61468949) is 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine is Cn1c(N)nnc1SCc1nc(-c2ccccn2)no1.
What is the InChIKey of 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
The InChIKey is GNIOZDZZEOCSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS/c1-18-10(12)15-16-11(18)20-6-8-14-9(17-19-8)7-4-2-3-5-13-7/h2-5H,6H2,1H3,(H2,12,15).
What are the key properties of 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine?
4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine has a molecular weight of 289.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 61468949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).