3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine

C16H22N6S — CID 133491476

IUPAC3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NC(c2nnc3ccccn23)C(C)C)n1
InChIInChI=1S/C16H22N6S/c1-10(2)9-12-17-16(23-21-12)18-14(11(3)4)15-20-19-13-7-5-6-8-22(13)15/h5-8,10-11,14H,9H2,1-4H3,(H,17,18,21)
InChIKeyPBNNTOWZRGOTHV-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.59
Rot. Bonds6

About 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine

3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133491476) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine
PubChem CID133491476
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NC(c2nnc3ccccn23)C(C)C)n1
InChIInChI=1S/C16H22N6S/c1-10(2)9-12-17-16(23-21-12)18-14(11(3)4)15-20-19-13-7-5-6-8-22(13)15/h5-8,10-11,14H,9H2,1-4H3,(H,17,18,21)
InChIKeyPBNNTOWZRGOTHV-UHFFFAOYSA-N
XLogP3.59
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133335089
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133334637
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
6-[[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]pyridine-3-carbonitrile
CID 97226253
[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride
CID 171109541
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 110922336
(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97108873
3-[[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]methyl]-1H-pyridin-2-one
CID 146145013
3-ethoxy-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-nitroaniline
CID 133430351

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine (CID 133491476) is 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine is CC(C)Cc1nsc(NC(c2nnc3ccccn23)C(C)C)n1.
What is the InChIKey of 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PBNNTOWZRGOTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-10(2)9-12-17-16(23-21-12)18-14(11(3)4)15-20-19-13-7-5-6-8-22(13)15/h5-8,10-11,14H,9H2,1-4H3,(H,17,18,21).
What are the key properties of 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine?
3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 330.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133491476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).