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

C13H20N6S — CID 71921387

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCc1nc2n(n1)CCCC2Nc1nc(C(C)C)ns1
InChIInChI=1S/C13H20N6S/c1-4-10-15-12-9(6-5-7-19(12)17-10)14-13-16-11(8(2)3)18-20-13/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyVHOXLSOODBPAIF-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.76
Rot. Bonds4

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

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 71921387) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID71921387
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCc1nc2n(n1)CCCC2Nc1nc(C(C)C)ns1
InChIInChI=1S/C13H20N6S/c1-4-10-15-12-9(6-5-7-19(12)17-10)14-13-16-11(8(2)3)18-20-13/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyVHOXLSOODBPAIF-UHFFFAOYSA-N
XLogP2.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(1-butyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780058
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780070
3-cyclopropyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 71918722
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 71918723
3-cyclopropyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-thiadiazol-5-amine
CID 71921384
3-ethyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 71969900
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2,4-thiadiazol-5-amine
CID 71971827
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 75380671
2-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyridin-8-amine
CID 71755762
Fezolinetant Impurity 3
CID 71550323
3-propan-2-yl-N-[[(7S)-7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164635998
3-(1-fluorocyclopropyl)-5-[(8R)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,2,4-thiadiazole
CID 155711739

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 71921387) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CCc1nc2n(n1)CCCC2Nc1nc(C(C)C)ns1.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is VHOXLSOODBPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-4-10-15-12-9(6-5-7-19(12)17-10)14-13-16-11(8(2)3)18-20-13/h8-9H,4-7H2,1-3H3,(H,14,16,18).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 292.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71921387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).