1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide

C14H23N5O3 — CID 45205486

IUPAC1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCC2CCCO2)nn1
InChIInChI=1S/C14H23N5O3/c1-3-18(4-2)13(20)10-19-9-12(16-17-19)14(21)15-8-11-6-5-7-22-11/h9,11H,3-8,10H2,1-2H3,(H,15,21)
InChIKeyZEILXMPXEIPSGW-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.06
Rot. Bonds7

About 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide

1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 45205486) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID45205486
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCC2CCCO2)nn1
InChIInChI=1S/C14H23N5O3/c1-3-18(4-2)13(20)10-19-9-12(16-17-19)14(21)15-8-11-6-5-7-22-11/h9,11H,3-8,10H2,1-2H3,(H,15,21)
InChIKeyZEILXMPXEIPSGW-UHFFFAOYSA-N
XLogP0.06
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 45205486) is 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide is CCN(CC)C(=O)Cn1cc(C(=O)NCC2CCCO2)nn1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is ZEILXMPXEIPSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-3-18(4-2)13(20)10-19-9-12(16-17-19)14(21)15-8-11-6-5-7-22-11/h9,11H,3-8,10H2,1-2H3,(H,15,21).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide?
1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 45205486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).