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

C11H19N5S — CID 114354701

IUPACN-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine
SMILESCCNC(C)(C)c1nn2c(C(C)C)nnc2s1
InChIInChI=1S/C11H19N5S/c1-6-12-11(4,5)9-15-16-8(7(2)3)13-14-10(16)17-9/h7,12H,6H2,1-5H3
InChIKeyBYKAXVCNJGXWRL-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.15
Rot. Bonds4

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

N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine (PubChem CID 114354701) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine
PubChem CID114354701
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC NameN-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine
SMILESCCNC(C)(C)c1nn2c(C(C)C)nnc2s1
InChIInChI=1S/C11H19N5S/c1-6-12-11(4,5)9-15-16-8(7(2)3)13-14-10(16)17-9/h7,12H,6H2,1-5H3
InChIKeyBYKAXVCNJGXWRL-UHFFFAOYSA-N
XLogP2.15
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine?
The IUPAC name of N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine (CID 114354701) is N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine?
The canonical SMILES for N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine is CCNC(C)(C)c1nn2c(C(C)C)nnc2s1.
What is the InChIKey of N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine?
The InChIKey is BYKAXVCNJGXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-6-12-11(4,5)9-15-16-8(7(2)3)13-14-10(16)17-9/h7,12H,6H2,1-5H3.
What are the key properties of N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine?
N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine has a molecular weight of 253.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-2-amine is sourced from PubChem (CID 114354701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).