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

C13H18N6OS — CID 71918722

IUPAC3-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
SMILESCOCc1nc2n(n1)CCCC2Nc1nc(C2CC2)ns1
InChIInChI=1S/C13H18N6OS/c1-20-7-10-15-12-9(3-2-6-19(12)17-10)14-13-16-11(18-21-13)8-4-5-8/h8-9H,2-7H2,1H3,(H,14,16,18)
InChIKeyWWRKEPQZFYNXEY-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.10
Rot. Bonds5

About 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

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 (PubChem CID 71918722) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID71918722
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name3-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
SMILESCOCc1nc2n(n1)CCCC2Nc1nc(C2CC2)ns1
InChIInChI=1S/C13H18N6OS/c1-20-7-10-15-12-9(3-2-6-19(12)17-10)14-13-16-11(18-21-13)8-4-5-8/h8-9H,2-7H2,1H3,(H,14,16,18)
InChIKeyWWRKEPQZFYNXEY-UHFFFAOYSA-N
XLogP2.10
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCc1nc2n(n1)CCCC2Nc1nc(C2CC2)ns1.
What is the InChIKey of 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?
The InChIKey is WWRKEPQZFYNXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-20-7-10-15-12-9(3-2-6-19(12)17-10)14-13-16-11(18-21-13)8-4-5-8/h8-9H,2-7H2,1H3,(H,14,16,18).
What are the key properties of 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?
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 has a molecular weight of 306.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71918722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).