N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide

C12H21N5O — CID 114132824

IUPACN-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide
SMILESCCN(C)C(=O)CNCc1nnc2n1CCCC2
InChIInChI=1S/C12H21N5O/c1-3-16(2)12(18)9-13-8-11-15-14-10-6-4-5-7-17(10)11/h13H,3-9H2,1-2H3
InChIKeySLPCLVHJDMGKQW-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.18
Rot. Bonds5

About N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide

N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide (PubChem CID 114132824) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide
PubChem CID114132824
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide
SMILESCCN(C)C(=O)CNCc1nnc2n1CCCC2
InChIInChI=1S/C12H21N5O/c1-3-16(2)12(18)9-13-8-11-15-14-10-6-4-5-7-17(10)11/h13H,3-9H2,1-2H3
InChIKeySLPCLVHJDMGKQW-UHFFFAOYSA-N
XLogP0.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide?
The IUPAC name of N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide (CID 114132824) is N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide is CCN(C)C(=O)CNCc1nnc2n1CCCC2.
What is the InChIKey of N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide?
The InChIKey is SLPCLVHJDMGKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-16(2)12(18)9-13-8-11-15-14-10-6-4-5-7-17(10)11/h13H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide?
N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)acetamide is sourced from PubChem (CID 114132824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).