N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide

C16H22FN5O — CID 119598860

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H22FN5O/c1-11(2)8-16(3,10-18)20-15(23)14-9-19-22(21-14)13-6-4-12(17)5-7-13/h4-7,9,11H,8,10,18H2,1-3H3,(H,20,23)
InChIKeyQTUVKLYXPHAKMP-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.90
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 119598860) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID119598860
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H22FN5O/c1-11(2)8-16(3,10-18)20-15(23)14-9-19-22(21-14)13-6-4-12(17)5-7-13/h4-7,9,11H,8,10,18H2,1-3H3,(H,20,23)
InChIKeyQTUVKLYXPHAKMP-UHFFFAOYSA-N
XLogP1.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide (CID 119598860) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide is CC(C)CC(C)(CN)NC(=O)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is QTUVKLYXPHAKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-11(2)8-16(3,10-18)20-15(23)14-9-19-22(21-14)13-6-4-12(17)5-7-13/h4-7,9,11H,8,10,18H2,1-3H3,(H,20,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 119598860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).