3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine

C6H4Cl2N6S — CID 131015265

IUPAC3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCc2cnns2)n1
InChIInChI=1S/C6H4Cl2N6S/c7-4-5(11-6(8)13-12-4)9-1-3-2-10-14-15-3/h2H,1H2,(H,9,11,13)
InChIKeyQAIVXUOMEVTLMQ-UHFFFAOYSA-N
MW263.11 g/mol
LogP1.64
Rot. Bonds3

About 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine (PubChem CID 131015265) has the molecular formula C6H4Cl2N6S and a molecular weight of 263.11 g/mol. Its IUPAC name is 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine
PubChem CID131015265
Molecular FormulaC6H4Cl2N6S
Molecular Weight263.11 g/mol
Exact Mass261.96
IUPAC Name3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCc2cnns2)n1
InChIInChI=1S/C6H4Cl2N6S/c7-4-5(11-6(8)13-12-4)9-1-3-2-10-14-15-3/h2H,1H2,(H,9,11,13)
InChIKeyQAIVXUOMEVTLMQ-UHFFFAOYSA-N
XLogP1.64
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine (CID 131015265) is 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NCc2cnns2)n1.
What is the InChIKey of 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine?
The InChIKey is QAIVXUOMEVTLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N6S/c7-4-5(11-6(8)13-12-4)9-1-3-2-10-14-15-3/h2H,1H2,(H,9,11,13).
What are the key properties of 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine has a molecular weight of 263.11 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(thiadiazol-5-ylmethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 131015265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).