N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide

C11H19N5O2 — CID 80682093

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESCn1cnc(CCNC(=O)CC2COCCN2)n1
InChIInChI=1S/C11H19N5O2/c1-16-8-14-10(15-16)2-3-13-11(17)6-9-7-18-5-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyZMROIQHXVVHKBJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.15
Rot. Bonds5

About N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide (PubChem CID 80682093) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
PubChem CID80682093
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESCn1cnc(CCNC(=O)CC2COCCN2)n1
InChIInChI=1S/C11H19N5O2/c1-16-8-14-10(15-16)2-3-13-11(17)6-9-7-18-5-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyZMROIQHXVVHKBJ-UHFFFAOYSA-N
XLogP-1.15
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide (CID 80682093) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide is Cn1cnc(CCNC(=O)CC2COCCN2)n1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide?
The InChIKey is ZMROIQHXVVHKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16-8-14-10(15-16)2-3-13-11(17)6-9-7-18-5-4-12-9/h8-9,12H,2-7H2,1H3,(H,13,17).
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 253.31 g/mol, XLogP of -1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 80682093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).