2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid

C11H20N4O2 — CID 103248684

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
SMILESCCCCC(NC(C)c1nncn1C)C(=O)O
InChIInChI=1S/C11H20N4O2/c1-4-5-6-9(11(16)17)13-8(2)10-14-12-7-15(10)3/h7-9,13H,4-6H2,1-3H3,(H,16,17)
InChIKeySYPDDMQAHDOGIR-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.11
Rot. Bonds7

About 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid (PubChem CID 103248684) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
PubChem CID103248684
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
SMILESCCCCC(NC(C)c1nncn1C)C(=O)O
InChIInChI=1S/C11H20N4O2/c1-4-5-6-9(11(16)17)13-8(2)10-14-12-7-15(10)3/h7-9,13H,4-6H2,1-3H3,(H,16,17)
InChIKeySYPDDMQAHDOGIR-UHFFFAOYSA-N
XLogP1.11
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-hydroxy-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 80757366
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 62119604
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119208
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 54867804
6-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 54867805
2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
CID 103244944
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62119394
5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
CID 82847987

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid (CID 103248684) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid is CCCCC(NC(C)c1nncn1C)C(=O)O.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid?
The InChIKey is SYPDDMQAHDOGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-5-6-9(11(16)17)13-8(2)10-14-12-7-15(10)3/h7-9,13H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid?
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid has a molecular weight of 240.31 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid is sourced from PubChem (CID 103248684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).