N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide

C9H16N4O3 — CID 15003619

IUPACN-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCOc1nn(C(=O)NC(C)(C)C)c(=O)n1C
InChIInChI=1S/C9H16N4O3/c1-9(2,3)10-6(14)13-8(15)12(4)7(11-13)16-5/h1-5H3,(H,10,14)
InChIKeyXNAGKMUDPWRJFB-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.05
Rot. Bonds1

About N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide

N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 15003619) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID15003619
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCOc1nn(C(=O)NC(C)(C)C)c(=O)n1C
InChIInChI=1S/C9H16N4O3/c1-9(2,3)10-6(14)13-8(15)12(4)7(11-13)16-5/h1-5H3,(H,10,14)
InChIKeyXNAGKMUDPWRJFB-UHFFFAOYSA-N
XLogP-0.05
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 15003619) is N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide is COc1nn(C(=O)NC(C)(C)C)c(=O)n1C.
What is the InChIKey of N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is XNAGKMUDPWRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-9(2,3)10-6(14)13-8(15)12(4)7(11-13)16-5/h1-5H3,(H,10,14).
What are the key properties of N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 15003619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).