(2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide

C13H22N4O2 — CID 129492789

IUPAC(2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCO[C@@H]2C(C)C)n1C
InChIInChI=1S/C13H22N4O2/c1-8(2)11-10(6-5-7-19-11)12(18)14-13-16-15-9(3)17(13)4/h8,10-11H,5-7H2,1-4H3,(H,14,16,18)/t10-,11-/m1/s1
InChIKeyWUZOCAZSRMMOML-GHMZBOCLSA-N
MW266.34 g/mol
LogP1.51
Rot. Bonds3

About (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide

(2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide (PubChem CID 129492789) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide
PubChem CID129492789
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide
SMILESCc1nnc(NC(=O)[C@@H]2CCCO[C@@H]2C(C)C)n1C
InChIInChI=1S/C13H22N4O2/c1-8(2)11-10(6-5-7-19-11)12(18)14-13-16-15-9(3)17(13)4/h8,10-11H,5-7H2,1-4H3,(H,14,16,18)/t10-,11-/m1/s1
InChIKeyWUZOCAZSRMMOML-GHMZBOCLSA-N
XLogP1.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide (CID 129492789) is (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide is Cc1nnc(NC(=O)[C@@H]2CCCO[C@@H]2C(C)C)n1C.
What is the InChIKey of (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide?
The InChIKey is WUZOCAZSRMMOML-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)11-10(6-5-7-19-11)12(18)14-13-16-15-9(3)17(13)4/h8,10-11H,5-7H2,1-4H3,(H,14,16,18)/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide?
(2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 129492789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).