2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide

C15H23N5O2 — CID 75473288

IUPAC2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C15H23N5O2/c1-10-18-20(14(2,3)4)13(22)19(10)8-12(21)17-15(5,9-16)11-6-7-11/h11H,6-8H2,1-5H3,(H,17,21)
InChIKeyCGDLVRPZBHQSIC-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.92
Rot. Bonds4

About 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide

2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide (PubChem CID 75473288) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
PubChem CID75473288
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C15H23N5O2/c1-10-18-20(14(2,3)4)13(22)19(10)8-12(21)17-15(5,9-16)11-6-7-11/h11H,6-8H2,1-5H3,(H,17,21)
InChIKeyCGDLVRPZBHQSIC-UHFFFAOYSA-N
XLogP0.92
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide (CID 75473288) is 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide is Cc1nn(C(C)(C)C)c(=O)n1CC(=O)NC(C)(C#N)C1CC1.
What is the InChIKey of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The InChIKey is CGDLVRPZBHQSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-18-20(14(2,3)4)13(22)19(10)8-12(21)17-15(5,9-16)11-6-7-11/h11H,6-8H2,1-5H3,(H,17,21).
What are the key properties of 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide?
2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 75473288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).