4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen

C10H21N5O2 — CID 158393080

IUPAC4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen
SMILESCC(C)c1nn(C(=O)NC(C)(C)C)c(=O)n1N.[H][H]
InChIInChI=1S/C10H19N5O2.H2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5;/h6H,11H2,1-5H3,(H,12,16);1H
InChIKeyGXFCKOYGYBBYOM-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.48
Rot. Bonds1

About 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen

4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen (PubChem CID 158393080) has the molecular formula C10H21N5O2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen
PubChem CID158393080
Molecular FormulaC10H21N5O2
Molecular Weight243.31 g/mol
Exact Mass243.17
IUPAC Name4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen
SMILESCC(C)c1nn(C(=O)NC(C)(C)C)c(=O)n1N.[H][H]
InChIInChI=1S/C10H19N5O2.H2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5;/h6H,11H2,1-5H3,(H,12,16);1H
InChIKeyGXFCKOYGYBBYOM-UHFFFAOYSA-N
XLogP0.48
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen 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 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen?
The IUPAC name of 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen (CID 158393080) is 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen?
The canonical SMILES for 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen is CC(C)c1nn(C(=O)NC(C)(C)C)c(=O)n1N.[H][H].
What is the InChIKey of 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen?
The InChIKey is GXFCKOYGYBBYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2.H2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5;/h6H,11H2,1-5H3,(H,12,16);1H.
What are the key properties of 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen?
4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen has a molecular weight of 243.31 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158393080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).