N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine

C12H17N5S — CID 114354348

IUPACN-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine
SMILESC1CCC(NCc2nn3c(C4CC4)nnc3s2)C1
InChIInChI=1S/C12H17N5S/c1-2-4-9(3-1)13-7-10-16-17-11(8-5-6-8)14-15-12(17)18-10/h8-9,13H,1-7H2
InChIKeyUHFXQPXGSWYJPC-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.10
Rot. Bonds4

About N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine

N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine (PubChem CID 114354348) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine
PubChem CID114354348
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine
SMILESC1CCC(NCc2nn3c(C4CC4)nnc3s2)C1
InChIInChI=1S/C12H17N5S/c1-2-4-9(3-1)13-7-10-16-17-11(8-5-6-8)14-15-12(17)18-10/h8-9,13H,1-7H2
InChIKeyUHFXQPXGSWYJPC-UHFFFAOYSA-N
XLogP2.10
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine (CID 114354348) is N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine is C1CCC(NCc2nn3c(C4CC4)nnc3s2)C1.
What is the InChIKey of N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine?
The InChIKey is UHFXQPXGSWYJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-2-4-9(3-1)13-7-10-16-17-11(8-5-6-8)14-15-12(17)18-10/h8-9,13H,1-7H2.
What are the key properties of N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine?
N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine has a molecular weight of 263.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclopentanamine is sourced from PubChem (CID 114354348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).