N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide

C12H20N4O2 — CID 136541078

IUPACN-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2ncnn2C(C)(C)C)CCCO1
InChIInChI=1S/C12H20N4O2/c1-11(2,3)16-10(13-8-14-16)15-9(17)12(4)6-5-7-18-12/h8H,5-7H2,1-4H3,(H,13,14,15,17)
InChIKeyZGEFPBHBFMBTCP-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.54
Rot. Bonds2

About N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide

N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide (PubChem CID 136541078) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide
PubChem CID136541078
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2ncnn2C(C)(C)C)CCCO1
InChIInChI=1S/C12H20N4O2/c1-11(2,3)16-10(13-8-14-16)15-9(17)12(4)6-5-7-18-12/h8H,5-7H2,1-4H3,(H,13,14,15,17)
InChIKeyZGEFPBHBFMBTCP-UHFFFAOYSA-N
XLogP1.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide (CID 136541078) is N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide is CC1(C(=O)Nc2ncnn2C(C)(C)C)CCCO1.
What is the InChIKey of N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide?
The InChIKey is ZGEFPBHBFMBTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-11(2,3)16-10(13-8-14-16)15-9(17)12(4)6-5-7-18-12/h8H,5-7H2,1-4H3,(H,13,14,15,17).
What are the key properties of N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide?
N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,2,4-triazol-3-yl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 136541078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).