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

C10H10N6OS — CID 79542300

IUPAC5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C10H10N6OS/c1-6-9(11)13-15-16(6)4-8-12-10(14-17-8)7-2-3-18-5-7/h2-3,5H,4,11H2,1H3
InChIKeyBBZPLTSTVJBGKF-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.33
Rot. Bonds3

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

5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine (PubChem CID 79542300) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
PubChem CID79542300
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C10H10N6OS/c1-6-9(11)13-15-16(6)4-8-12-10(14-17-8)7-2-3-18-5-7/h2-3,5H,4,11H2,1H3
InChIKeyBBZPLTSTVJBGKF-UHFFFAOYSA-N
XLogP1.33
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79541947
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyltriazol-4-amine
CID 79542695
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572
5,6-dimethyl-3-oxo-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazine-4-carbonitrile
CID 9309213
1-propyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 8627216
N-[[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66193953
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62059910
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
CID 43249554
5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79535777
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 43627759
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine (CID 79542300) is 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine is Cc1c(N)nnn1Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The InChIKey is BBZPLTSTVJBGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-6-9(11)13-15-16(6)4-8-12-10(14-17-8)7-2-3-18-5-7/h2-3,5H,4,11H2,1H3.
What are the key properties of 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine has a molecular weight of 262.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).