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

C13H20N6OS — CID 71918723

IUPACN-[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
SMILESCOCc1nc2n(n1)CCCC2Nc1nc(C(C)C)ns1
InChIInChI=1S/C13H20N6OS/c1-8(2)11-16-13(21-18-11)14-9-5-4-6-19-12(9)15-10(17-19)7-20-3/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyTWNKCUBGAZULSA-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.35
Rot. Bonds5

About 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

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 (PubChem CID 71918723) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID71918723
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-[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
SMILESCOCc1nc2n(n1)CCCC2Nc1nc(C(C)C)ns1
InChIInChI=1S/C13H20N6OS/c1-8(2)11-16-13(21-18-11)14-9-5-4-6-19-12(9)15-10(17-19)7-20-3/h8-9H,4-7H2,1-3H3,(H,14,16,18)
InChIKeyTWNKCUBGAZULSA-UHFFFAOYSA-N
XLogP2.35
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCc1nc2n(n1)CCCC2Nc1nc(C(C)C)ns1.
What is the InChIKey of 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?
The InChIKey is TWNKCUBGAZULSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-8(2)11-16-13(21-18-11)14-9-5-4-6-19-12(9)15-10(17-19)7-20-3/h8-9H,4-7H2,1-3H3,(H,14,16,18).
What are the key properties of 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?
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 has a molecular weight of 308.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71918723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).