3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine

C16H18N6S — CID 133492824

IUPAC3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(-c2ccccc2)ns1)c1nnc2n1CCCC2
InChIInChI=1S/C16H18N6S/c1-11(15-20-19-13-9-5-6-10-22(13)15)17-16-18-14(21-23-16)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,18,21)
InChIKeyMAXBBZIHCFXHKM-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.31
Rot. Bonds4

About 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine

3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133492824) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID133492824
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(-c2ccccc2)ns1)c1nnc2n1CCCC2
InChIInChI=1S/C16H18N6S/c1-11(15-20-19-13-9-5-6-10-22(13)15)17-16-18-14(21-23-16)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,18,21)
InChIKeyMAXBBZIHCFXHKM-UHFFFAOYSA-N
XLogP3.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

3-cyclopropyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 127728910
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133334637
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]benzamide
CID 60715577
4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 126772218
5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
CID 133374542
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-phenylethanamine
CID 43748158
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine
CID 97260630
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 71929315
N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyridine-2-carboxamide
CID 95130586
[3-nitro-4-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]phenyl]-phenylmethanone
CID 133374521
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-phenoxybenzamide
CID 95200827
(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
CID 96511939

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine (CID 133492824) is 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is CC(Nc1nc(-c2ccccc2)ns1)c1nnc2n1CCCC2.
What is the InChIKey of 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is MAXBBZIHCFXHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11(15-20-19-13-9-5-6-10-22(13)15)17-16-18-14(21-23-16)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,18,21).
What are the key properties of 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine?
3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 326.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133492824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).