4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine

C12H14N6S — CID 114353436

IUPAC4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine
SMILESCC(C)(C)c1nnc2sc(-c3ccncc3N)nn12
InChIInChI=1S/C12H14N6S/c1-12(2,3)10-15-16-11-18(10)17-9(19-11)7-4-5-14-6-8(7)13/h4-6H,13H2,1-3H3
InChIKeyKBCVXQAWSGWNFY-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.13
Rot. Bonds1

About 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine

4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine (PubChem CID 114353436) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine
PubChem CID114353436
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine
SMILESCC(C)(C)c1nnc2sc(-c3ccncc3N)nn12
InChIInChI=1S/C12H14N6S/c1-12(2,3)10-15-16-11-18(10)17-9(19-11)7-4-5-14-6-8(7)13/h4-6H,13H2,1-3H3
InChIKeyKBCVXQAWSGWNFY-UHFFFAOYSA-N
XLogP2.13
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114353429
2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-chloroaniline
CID 114353430
2,4-dibromo-6-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114353531
2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluorophenol
CID 136789814
2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-chlorophenol
CID 136991453
3-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4,5-dimethylthiophen-2-amine
CID 114353361
3,6-ditert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 164706286
2-[4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)triazol-1-yl]ethanamine
CID 114353517
6-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridin-3-amine
CID 114352910
4-(4-tert-butylphenyl)pyridin-3-amine
CID 83167595
5-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 136991416
3-tert-butyl-6-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6490936

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine?
The IUPAC name of 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine (CID 114353436) is 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine.
What is the SMILES notation for 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine?
The canonical SMILES for 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine is CC(C)(C)c1nnc2sc(-c3ccncc3N)nn12.
What is the InChIKey of 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine?
The InChIKey is KBCVXQAWSGWNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-12(2,3)10-15-16-11-18(10)17-9(19-11)7-4-5-14-6-8(7)13/h4-6H,13H2,1-3H3.
What are the key properties of 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine?
4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine has a molecular weight of 274.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pyridin-3-amine is sourced from PubChem (CID 114353436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).