cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine

C10H15N5S — CID 114354745

IUPACcyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
SMILESCC(C)c1nnc2sc(C(N)C3CC3)nn12
InChIInChI=1S/C10H15N5S/c1-5(2)8-12-13-10-15(8)14-9(16-10)7(11)6-3-4-6/h5-7H,3-4,11H2,1-2H3
InChIKeyMOEHBDASKLPPOV-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.72
Rot. Bonds3

About cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine

cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine (PubChem CID 114354745) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
PubChem CID114354745
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Namecyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
SMILESCC(C)c1nnc2sc(C(N)C3CC3)nn12
InChIInChI=1S/C10H15N5S/c1-5(2)8-12-13-10-15(8)14-9(16-10)7(11)6-3-4-6/h5-7H,3-4,11H2,1-2H3
InChIKeyMOEHBDASKLPPOV-UHFFFAOYSA-N
XLogP1.72
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The IUPAC name of cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine (CID 114354745) is cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine.
What is the SMILES notation for cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The canonical SMILES for cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine is CC(C)c1nnc2sc(C(N)C3CC3)nn12.
What is the InChIKey of cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
The InChIKey is MOEHBDASKLPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-5(2)8-12-13-10-15(8)14-9(16-10)7(11)6-3-4-6/h5-7H,3-4,11H2,1-2H3.
What are the key properties of cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine?
cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine has a molecular weight of 237.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine is sourced from PubChem (CID 114354745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).