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

C13H20N6OS — CID 71848176

IUPACN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NC2CCCn3nc(COC)nc32)s1
InChIInChI=1S/C13H20N6OS/c1-3-5-11-16-17-13(21-11)14-9-6-4-7-19-12(9)15-10(18-19)8-20-2/h9H,3-8H2,1-2H3,(H,14,17)
InChIKeyNCDQSJCEJLVONL-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.18
Rot. Bonds6

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

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 71848176) 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]-5-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-amine
PubChem CID71848176
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]-5-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NC2CCCn3nc(COC)nc32)s1
InChIInChI=1S/C13H20N6OS/c1-3-5-11-16-17-13(21-11)14-9-6-4-7-19-12(9)15-10(18-19)8-20-2/h9H,3-8H2,1-2H3,(H,14,17)
InChIKeyNCDQSJCEJLVONL-UHFFFAOYSA-N
XLogP2.18
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-5-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-amine (CID 71848176) is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-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]-5-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-amine is CCCc1nnc(NC2CCCn3nc(COC)nc32)s1.
What is the InChIKey of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NCDQSJCEJLVONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-3-5-11-16-17-13(21-11)14-9-6-4-7-19-12(9)15-10(18-19)8-20-2/h9H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-amine?
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-5-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 2.18, 6 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]-5-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 71848176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).