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

C7H7F3N6S — CID 114449646

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1cnnc1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H7F3N6S/c1-16-3-12-13-4(16)2-11-6-15-14-5(17-6)7(8,9)10/h3H,2H2,1H3,(H,11,15)
InChIKeyFEQUPPRTYFOOBA-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.30
Rot. Bonds3

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449646) 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]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449646
Molecular FormulaC7H7F3N6S
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1cnnc1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H7F3N6S/c1-16-3-12-13-4(16)2-11-6-15-14-5(17-6)7(8,9)10/h3H,2H2,1H3,(H,11,15)
InChIKeyFEQUPPRTYFOOBA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449646) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cn1cnnc1CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FEQUPPRTYFOOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N6S/c1-16-3-12-13-4(16)2-11-6-15-14-5(17-6)7(8,9)10/h3H,2H2,1H3,(H,11,15).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).