N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide

C13H19F3N8O — CID 119587691

IUPACN-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC(CN)CC(C)C)nn1-c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N8O/c1-6(2)4-8(5-17)19-10(25)9-18-7(3)24(23-9)12-20-11(21-22-12)13(14,15)16/h6,8H,4-5,17H2,1-3H3,(H,19,25)(H,20,21,22)
InChIKeyUTDBYXGURVWDFV-UHFFFAOYSA-N
MW360.34 g/mol
LogP0.82
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide

N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 119587691) has the molecular formula C13H19F3N8O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID119587691
Molecular FormulaC13H19F3N8O
Molecular Weight360.34 g/mol
Exact Mass360.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC(CN)CC(C)C)nn1-c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N8O/c1-6(2)4-8(5-17)19-10(25)9-18-7(3)24(23-9)12-20-11(21-22-12)13(14,15)16/h6,8H,4-5,17H2,1-3H3,(H,19,25)(H,20,21,22)
InChIKeyUTDBYXGURVWDFV-UHFFFAOYSA-N
XLogP0.82
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide (CID 119587691) is N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NC(CN)CC(C)C)nn1-c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is UTDBYXGURVWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N8O/c1-6(2)4-8(5-17)19-10(25)9-18-7(3)24(23-9)12-20-11(21-22-12)13(14,15)16/h6,8H,4-5,17H2,1-3H3,(H,19,25)(H,20,21,22).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 119587691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).