2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide

C11H20N4O — CID 68964401

IUPAC2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide
SMILESCC(C)Cc1nc(C(N)=O)n(CC(C)C)n1
InChIInChI=1S/C11H20N4O/c1-7(2)5-9-13-11(10(12)16)15(14-9)6-8(3)4/h7-8H,5-6H2,1-4H3,(H2,12,16)
InChIKeyWGFSWRIJABOZSA-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.23
Rot. Bonds5

About 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide

2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide (PubChem CID 68964401) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide
PubChem CID68964401
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide
SMILESCC(C)Cc1nc(C(N)=O)n(CC(C)C)n1
InChIInChI=1S/C11H20N4O/c1-7(2)5-9-13-11(10(12)16)15(14-9)6-8(3)4/h7-8H,5-6H2,1-4H3,(H2,12,16)
InChIKeyWGFSWRIJABOZSA-UHFFFAOYSA-N
XLogP1.23
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(aminomethyl)-1-methyl-1H-1,2,4-triazole-3-carboxamide
CID 22716009
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
CID 71974205
1,5-dimethyl-1H-1,2,4-triazole-3-carboxamide
CID 45084121
1,3-Dimethyl-1 H-1,2,4-triazole-5-carboxamide
CID 135289779
5-[(4,4-Difluorocyclohexyl)methyl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 175397162
5-(2,2-Difluorocyclopropyl)-2-methyl-1,2,4-triazole-3-carboxamide
CID 175864609
4-methyl-5-(methylamino)-N-(2-methylpropyl)-1,2,4-triazole-3-carboxamide
CID 14852979
N-(diaminomethylidene)-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 20591092
5-Aminomethyl-1-methyl-1h-[1,2,4]-triazole-3-carboxamide hydrochloride
CID 22716029
2-(3,5-Dimethyl-1,2,4-triazol-1-yl)acetamide
CID 60748121
1,5-Dipentyl-1,2,4-triazole-3-carboxamide
CID 68580294
1-Pentyl-1,2,4-triazole-3-carboxamide
CID 70609428

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide (CID 68964401) is 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide is CC(C)Cc1nc(C(N)=O)n(CC(C)C)n1.
What is the InChIKey of 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WGFSWRIJABOZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)5-9-13-11(10(12)16)15(14-9)6-8(3)4/h7-8H,5-6H2,1-4H3,(H2,12,16).
What are the key properties of 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide?
2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 68964401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).