N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine

C6H6F2N6S — CID 138014743

IUPACN-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILESFC(F)CNc1n[nH]c(-c2cnsn2)n1
InChIInChI=1S/C6H6F2N6S/c7-4(8)2-9-6-11-5(12-13-6)3-1-10-15-14-3/h1,4H,2H2,(H2,9,11,12,13)
InChIKeyKAECLLMKXZDNRN-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.00
Rot. Bonds4

About N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine

N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 138014743) has the molecular formula C6H6F2N6S and a molecular weight of 232.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID138014743
Molecular FormulaC6H6F2N6S
Molecular Weight232.22 g/mol
Exact Mass232.03
IUPAC NameN-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILESFC(F)CNc1n[nH]c(-c2cnsn2)n1
InChIInChI=1S/C6H6F2N6S/c7-4(8)2-9-6-11-5(12-13-6)3-1-10-15-14-3/h1,4H,2H2,(H2,9,11,12,13)
InChIKeyKAECLLMKXZDNRN-UHFFFAOYSA-N
XLogP1.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
1-(Difluoromethyl)-5-(1H-imidazol-5-yl)-1H-1,2,4-triazole
CID 165377034
N-(2,2-difluoroethyl)-5-(1-methyltriazol-4-yl)-1H-1,2,4-triazol-3-amine
CID 136574787
3-(1H-imidazol-5-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 167768585
3-(2H-triazol-4-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 167802974
3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,5-thiadiazole
CID 167875874
5-(1H-imidazol-5-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 167933681
5-methyl-3-(2H-triazol-4-yl)-1H-1,2,4-triazole
CID 53884997
3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole
CID 57048643
5-(1H-imidazol-5-yl)-1H-1,2,4-triazole
CID 136407654
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)triazole
CID 136636352
3-(1h-1,2,3-Triazol-4-yl)-1h-1,2,4-triazol-5-amine
CID 80496554

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine (CID 138014743) is N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine is FC(F)CNc1n[nH]c(-c2cnsn2)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is KAECLLMKXZDNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N6S/c7-4(8)2-9-6-11-5(12-13-6)3-1-10-15-14-3/h1,4H,2H2,(H2,9,11,12,13).
What are the key properties of N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine?
N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 232.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 138014743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).