N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide

C11H20N4O — CID 580553

IUPACN-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ncn[nH]1
InChIInChI=1S/C11H20N4O/c1-3-5-6-9(4-2)7-12-11(16)10-13-8-14-15-10/h8-9H,3-7H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyALUJDKSOXSVEFQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.75
Rot. Bonds7

About N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 580553) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID580553
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCCCC(CC)CNC(=O)c1ncn[nH]1
InChIInChI=1S/C11H20N4O/c1-3-5-6-9(4-2)7-12-11(16)10-13-8-14-15-10/h8-9H,3-7H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyALUJDKSOXSVEFQ-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide (CID 580553) is N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide is CCCCC(CC)CNC(=O)c1ncn[nH]1.
What is the InChIKey of N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ALUJDKSOXSVEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-5-6-9(4-2)7-12-11(16)10-13-8-14-15-10/h8-9H,3-7H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 580553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).