N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C7H7F3N6S — CID 107304766

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCn1cnnc1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H7F3N6S/c1-16-3-12-14-4(16)2-11-6-13-5(15-17-6)7(8,9)10/h3H,2H2,1H3,(H,11,13,15)
InChIKeyOWJGITOCBHUITP-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.30
Rot. Bonds3

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304766) has the molecular formula C7H7F3N6S and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304766
Molecular FormulaC7H7F3N6S
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCn1cnnc1CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H7F3N6S/c1-16-3-12-14-4(16)2-11-6-13-5(15-17-6)7(8,9)10/h3H,2H2,1H3,(H,11,13,15)
InChIKeyOWJGITOCBHUITP-UHFFFAOYSA-N
XLogP1.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 137985829
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104925136
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304762
N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304878
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304950
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305059
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazol-3-yl]methanamine
CID 107305994
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113626147
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943948
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,2,4-triazole-3-carbothioamide
CID 113944126
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113952896
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114125978

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304766) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is Cn1cnnc1CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OWJGITOCBHUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N6S/c1-16-3-12-14-4(16)2-11-6-13-5(15-17-6)7(8,9)10/h3H,2H2,1H3,(H,11,13,15).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 264.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).