5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile

C10H10N6S — CID 82221369

IUPAC5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile
SMILESCc1nnc(-n2nnc(C#N)c2C2CCC2)s1
InChIInChI=1S/C10H10N6S/c1-6-12-14-10(17-6)16-9(7-3-2-4-7)8(5-11)13-15-16/h7H,2-4H2,1H3
InChIKeyJOEANVOTMZXHSK-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.57
Rot. Bonds2

About 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile

5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile (PubChem CID 82221369) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile
PubChem CID82221369
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile
SMILESCc1nnc(-n2nnc(C#N)c2C2CCC2)s1
InChIInChI=1S/C10H10N6S/c1-6-12-14-10(17-6)16-9(7-3-2-4-7)8(5-11)13-15-16/h7H,2-4H2,1H3
InChIKeyJOEANVOTMZXHSK-UHFFFAOYSA-N
XLogP1.57
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile?
The IUPAC name of 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile (CID 82221369) is 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile.
What is the SMILES notation for 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile?
The canonical SMILES for 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile is Cc1nnc(-n2nnc(C#N)c2C2CCC2)s1.
What is the InChIKey of 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile?
The InChIKey is JOEANVOTMZXHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-6-12-14-10(17-6)16-9(7-3-2-4-7)8(5-11)13-15-16/h7H,2-4H2,1H3.
What are the key properties of 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile?
5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile has a molecular weight of 246.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carbonitrile is sourced from PubChem (CID 82221369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).