2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide

C12H20N4O2 — CID 114167912

IUPAC2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1C(C)OC(C)C1C)c1ncn[nH]1
InChIInChI=1S/C12H20N4O2/c1-6-8(3)18-9(4)10(6)12(17)15-7(2)11-13-5-14-16-11/h5-10H,1-4H3,(H,15,17)(H,13,14,16)
InChIKeyLPICVFIRHPBFIG-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.04
Rot. Bonds3

About 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide

2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide (PubChem CID 114167912) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
PubChem CID114167912
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1C(C)OC(C)C1C)c1ncn[nH]1
InChIInChI=1S/C12H20N4O2/c1-6-8(3)18-9(4)10(6)12(17)15-7(2)11-13-5-14-16-11/h5-10H,1-4H3,(H,15,17)(H,13,14,16)
InChIKeyLPICVFIRHPBFIG-UHFFFAOYSA-N
XLogP1.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide (CID 114167912) is 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide is CC(NC(=O)C1C(C)OC(C)C1C)c1ncn[nH]1.
What is the InChIKey of 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is LPICVFIRHPBFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-6-8(3)18-9(4)10(6)12(17)15-7(2)11-13-5-14-16-11/h5-10H,1-4H3,(H,15,17)(H,13,14,16).
What are the key properties of 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide?
2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 114167912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).