2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine

C8H13N5S — CID 114352229

IUPAC2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1nn2cnnc2s1
InChIInChI=1S/C8H13N5S/c1-8(2,3)9-4-6-12-13-5-10-11-7(13)14-6/h5,9H,4H2,1-3H3
InChIKeyVCLWTRMGIIBGCJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.07
Rot. Bonds2

About 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine

2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine (PubChem CID 114352229) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine
PubChem CID114352229
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1nn2cnnc2s1
InChIInChI=1S/C8H13N5S/c1-8(2,3)9-4-6-12-13-5-10-11-7(13)14-6/h5,9H,4H2,1-3H3
InChIKeyVCLWTRMGIIBGCJ-UHFFFAOYSA-N
XLogP1.07
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine (CID 114352229) is 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine is CC(C)(C)NCc1nn2cnnc2s1.
What is the InChIKey of 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine?
The InChIKey is VCLWTRMGIIBGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-8(2,3)9-4-6-12-13-5-10-11-7(13)14-6/h5,9H,4H2,1-3H3.
What are the key properties of 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine?
2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine has a molecular weight of 211.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 114352229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).