N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide

C11H21N5O2 — CID 14801437

IUPACN-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide
SMILESCNn1c(C(C)C)nn(C(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C11H21N5O2/c1-7(2)8-14-16(10(18)15(8)12-6)9(17)13-11(3,4)5/h7,12H,1-6H3,(H,13,17)
InChIKeyKMEQUDVWALNJBE-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.70
Rot. Bonds2

About N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide

N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide (PubChem CID 14801437) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide
PubChem CID14801437
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC NameN-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide
SMILESCNn1c(C(C)C)nn(C(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C11H21N5O2/c1-7(2)8-14-16(10(18)15(8)12-6)9(17)13-11(3,4)5/h7,12H,1-6H3,(H,13,17)
InChIKeyKMEQUDVWALNJBE-UHFFFAOYSA-N
XLogP0.70
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-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-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide (CID 14801437) is N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide is CNn1c(C(C)C)nn(C(=O)NC(C)(C)C)c1=O.
What is the InChIKey of N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide?
The InChIKey is KMEQUDVWALNJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-7(2)8-14-16(10(18)15(8)12-6)9(17)13-11(3,4)5/h7,12H,1-6H3,(H,13,17).
What are the key properties of N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide?
N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(methylamino)-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14801437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).