2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine

C7H10N6S — CID 105159397

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine
SMILESCn1ncnc1CC(N)c1csnn1
InChIInChI=1S/C7H10N6S/c1-13-7(9-4-10-13)2-5(8)6-3-14-12-11-6/h3-5H,2,8H2,1H3
InChIKeyXJPBZRIZBKLJRT-UHFFFAOYSA-N
MW210.27 g/mol
LogP-0.09
Rot. Bonds3

About 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine

2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105159397) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine
PubChem CID105159397
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine
SMILESCn1ncnc1CC(N)c1csnn1
InChIInChI=1S/C7H10N6S/c1-13-7(9-4-10-13)2-5(8)6-3-14-12-11-6/h3-5H,2,8H2,1H3
InChIKeyXJPBZRIZBKLJRT-UHFFFAOYSA-N
XLogP-0.09
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methyl-1,2,4-triazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105159499
2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105165773
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanol
CID 105107866
3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine
CID 105187627
1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997878
1-(5-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997957
1-(4,5-dibromothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997576
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105318475
1-(4-tert-butylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997926
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997938
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 102803970
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine (CID 105159397) is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine is Cn1ncnc1CC(N)c1csnn1.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is XJPBZRIZBKLJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-13-7(9-4-10-13)2-5(8)6-3-14-12-11-6/h3-5H,2,8H2,1H3.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine?
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 210.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105159397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).