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

C13H18N6S — CID 71921384

IUPAC3-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
SMILESCCc1nc2n(n1)CCCC2Nc1nc(C2CC2)ns1
InChIInChI=1S/C13H18N6S/c1-2-10-15-12-9(4-3-7-19(12)17-10)14-13-16-11(18-20-13)8-5-6-8/h8-9H,2-7H2,1H3,(H,14,16,18)
InChIKeyJYZJMKYMICWODD-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.52
Rot. Bonds4

About 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

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 (PubChem CID 71921384) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID71921384
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name3-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
SMILESCCc1nc2n(n1)CCCC2Nc1nc(C2CC2)ns1
InChIInChI=1S/C13H18N6S/c1-2-10-15-12-9(4-3-7-19(12)17-10)14-13-16-11(18-20-13)8-5-6-8/h8-9H,2-7H2,1H3,(H,14,16,18)
InChIKeyJYZJMKYMICWODD-UHFFFAOYSA-N
XLogP2.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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
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
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
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
3-propan-2-yl-N-[[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 132393366

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2n(n1)CCCC2Nc1nc(C2CC2)ns1.
What is the InChIKey of 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?
The InChIKey is JYZJMKYMICWODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-2-10-15-12-9(4-3-7-19(12)17-10)14-13-16-11(18-20-13)8-5-6-8/h8-9H,2-7H2,1H3,(H,14,16,18).
What are the key properties of 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?
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 has a molecular weight of 290.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71921384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).