N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide

C15H25N5O3 — CID 91785428

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CN2CCOCC2)C1
InChIInChI=1S/C15H25N5O3/c1-2-20-13(10-21)17-18-15(20)11-7-12(8-11)16-14(22)9-19-3-5-23-6-4-19/h11-12,21H,2-10H2,1H3,(H,16,22)
InChIKeySQKQIVSGXLOXPW-UHFFFAOYSA-N
MW323.40 g/mol
LogP-0.52
Rot. Bonds6

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide (PubChem CID 91785428) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide
PubChem CID91785428
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CN2CCOCC2)C1
InChIInChI=1S/C15H25N5O3/c1-2-20-13(10-21)17-18-15(20)11-7-12(8-11)16-14(22)9-19-3-5-23-6-4-19/h11-12,21H,2-10H2,1H3,(H,16,22)
InChIKeySQKQIVSGXLOXPW-UHFFFAOYSA-N
XLogP-0.52
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide (CID 91785428) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide is CCn1c(CO)nnc1C1CC(NC(=O)CN2CCOCC2)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide?
The InChIKey is SQKQIVSGXLOXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-2-20-13(10-21)17-18-15(20)11-7-12(8-11)16-14(22)9-19-3-5-23-6-4-19/h11-12,21H,2-10H2,1H3,(H,16,22).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide has a molecular weight of 323.40 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 91785428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).