1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine

C13H15N7S — CID 136928587

IUPAC1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2ncc(-c3nn4c(C5CC5)nnc4s3)[nH]2)CCC1
InChIInChI=1S/C13H15N7S/c14-13(4-1-5-13)11-15-6-8(16-11)10-19-20-9(7-2-3-7)17-18-12(20)21-10/h6-7H,1-5,14H2,(H,15,16)
InChIKeyFSCOVCZLKBGYEY-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.79
Rot. Bonds3

About 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine

1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (PubChem CID 136928587) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
PubChem CID136928587
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine
SMILESNC1(c2ncc(-c3nn4c(C5CC5)nnc4s3)[nH]2)CCC1
InChIInChI=1S/C13H15N7S/c14-13(4-1-5-13)11-15-6-8(16-11)10-19-20-9(7-2-3-7)17-18-12(20)21-10/h6-7H,1-5,14H2,(H,15,16)
InChIKeyFSCOVCZLKBGYEY-UHFFFAOYSA-N
XLogP1.79
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine (CID 136928587) is 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is NC1(c2ncc(-c3nn4c(C5CC5)nnc4s3)[nH]2)CCC1.
What is the InChIKey of 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
The InChIKey is FSCOVCZLKBGYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c14-13(4-1-5-13)11-15-6-8(16-11)10-19-20-9(7-2-3-7)17-18-12(20)21-10/h6-7H,1-5,14H2,(H,15,16).
What are the key properties of 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine?
1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine has a molecular weight of 301.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-imidazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 136928587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).