4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide

C13H23N5O2 — CID 154769508

IUPAC4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide
SMILESCCN1CCOCC1C(=O)NC(C)(C)c1cn(C)nn1
InChIInChI=1S/C13H23N5O2/c1-5-18-6-7-20-9-10(18)12(19)14-13(2,3)11-8-17(4)16-15-11/h8,10H,5-7,9H2,1-4H3,(H,14,19)
InChIKeyKYBAIOKVDOGCFL-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.11
Rot. Bonds4

About 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide

4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide (PubChem CID 154769508) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide
PubChem CID154769508
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide
SMILESCCN1CCOCC1C(=O)NC(C)(C)c1cn(C)nn1
InChIInChI=1S/C13H23N5O2/c1-5-18-6-7-20-9-10(18)12(19)14-13(2,3)11-8-17(4)16-15-11/h8,10H,5-7,9H2,1-4H3,(H,14,19)
InChIKeyKYBAIOKVDOGCFL-UHFFFAOYSA-N
XLogP-0.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide (CID 154769508) is 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide is CCN1CCOCC1C(=O)NC(C)(C)c1cn(C)nn1.
What is the InChIKey of 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide?
The InChIKey is KYBAIOKVDOGCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-5-18-6-7-20-9-10(18)12(19)14-13(2,3)11-8-17(4)16-15-11/h8,10H,5-7,9H2,1-4H3,(H,14,19).
What are the key properties of 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide?
4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 154769508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).