1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine

C5H6N6S — CID 131220801

IUPAC1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(Cc2cnsn2)n1
InChIInChI=1S/C5H6N6S/c6-5-7-3-11(9-5)2-4-1-8-12-10-4/h1,3H,2H2,(H2,6,9)
InChIKeyRQOFATGFQSYMJT-UHFFFAOYSA-N
MW182.21 g/mol
LogP-0.24
Rot. Bonds2

About 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine

1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 131220801) has the molecular formula C5H6N6S and a molecular weight of 182.21 g/mol. Its IUPAC name is 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID131220801
Molecular FormulaC5H6N6S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(Cc2cnsn2)n1
InChIInChI=1S/C5H6N6S/c6-5-7-3-11(9-5)2-4-1-8-12-10-4/h1,3H,2H2,(H2,6,9)
InChIKeyRQOFATGFQSYMJT-UHFFFAOYSA-N
XLogP-0.24
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,2,4-triazol-1-yl)-4-(2H-triazol-4-yl)triazole
CID 57185054
1-Propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 168909727
1-[4-(1,2,4-Triazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 170026346
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 55073461
N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62447374
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62447558
[1-[2-(1,2,4-Triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62448120
1-Methyl-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 103866322
1-[(1-Methyl-1H-1,2,3-triazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 107042817
5-Bromo-1-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 107042876
[1-[(1-Methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 107052758
3-Iodo-1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazole
CID 107058801

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine (CID 131220801) is 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine is Nc1ncn(Cc2cnsn2)n1.
What is the InChIKey of 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is RQOFATGFQSYMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S/c6-5-7-3-11(9-5)2-4-1-8-12-10-4/h1,3H,2H2,(H2,6,9).
What are the key properties of 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine?
1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 182.21 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 131220801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).