3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine

C10H8N6S — CID 43556103

IUPAC3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cnn(-c3ccccc3)n2)ns1
InChIInChI=1S/C10H8N6S/c11-10-13-9(15-17-10)8-6-12-16(14-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13,15)
InChIKeyPVZHODQHUSGPKA-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.37
Rot. Bonds2

About 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine

3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 43556103) has the molecular formula C10H8N6S and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID43556103
Molecular FormulaC10H8N6S
Molecular Weight244.28 g/mol
Exact Mass244.05
IUPAC Name3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cnn(-c3ccccc3)n2)ns1
InChIInChI=1S/C10H8N6S/c11-10-13-9(15-17-10)8-6-12-16(14-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13,15)
InChIKeyPVZHODQHUSGPKA-UHFFFAOYSA-N
XLogP1.37
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
CID 62202637
5-iodo-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidin-4-amine
CID 66297847
2-(2-phenyltriazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202271
5-bromo-4-chloro-2-(2-phenyltriazol-4-yl)pyrimidine
CID 66312088
5-bromo-4-chloro-6-methyl-2-(2-phenyltriazol-4-yl)pyrimidine
CID 66311254
2-(2-phenyltriazol-4-yl)-1,3-thiazole-5-carbaldehyde
CID 61281333
4-(furan-2-yl)-2-phenyltriazole
CID 12752145
2,4-bis[4-(2-phenylethenyl)phenyl]triazole
CID 70598858
3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 46839741
5,10,15,20-tetrakis(2-phenyltriazol-4-yl)-21,23-dihydroporphyrin
CID 137147645
4-chloro-6-(methoxymethyl)-2-(2-phenyltriazol-4-yl)pyrimidine
CID 62320132
ethane;4-methyl-2-phenyltriazole
CID 143409847

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine (CID 43556103) is 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2cnn(-c3ccccc3)n2)ns1.
What is the InChIKey of 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PVZHODQHUSGPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6S/c11-10-13-9(15-17-10)8-6-12-16(14-8)7-4-2-1-3-5-7/h1-6H,(H2,11,13,15).
What are the key properties of 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine?
3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 244.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyltriazol-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 43556103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).