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

C10H17N5O2 — CID 107142609

IUPAC2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid
SMILESCC(NC1(CC(=O)O)CNC1)c1nncn1C
InChIInChI=1S/C10H17N5O2/c1-7(9-14-12-6-15(9)2)13-10(3-8(16)17)4-11-5-10/h6-7,11,13H,3-5H2,1-2H3,(H,16,17)
InChIKeyFZFDEQVSPGVQSW-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.72
Rot. Bonds5

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

2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid (PubChem CID 107142609) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid
PubChem CID107142609
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid
SMILESCC(NC1(CC(=O)O)CNC1)c1nncn1C
InChIInChI=1S/C10H17N5O2/c1-7(9-14-12-6-15(9)2)13-10(3-8(16)17)4-11-5-10/h6-7,11,13H,3-5H2,1-2H3,(H,16,17)
InChIKeyFZFDEQVSPGVQSW-UHFFFAOYSA-N
XLogP-0.72
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142608
3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63139112
(E)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]prop-2-enoic acid
CID 103248691
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
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60941712
3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 63130828
2-[3-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658850
3,3-dimethyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 62933200
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62118292
2-[[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 62117206

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid (CID 107142609) is 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid is CC(NC1(CC(=O)O)CNC1)c1nncn1C.
What is the InChIKey of 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid?
The InChIKey is FZFDEQVSPGVQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(9-14-12-6-15(9)2)13-10(3-8(16)17)4-11-5-10/h6-7,11,13H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid?
2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid has a molecular weight of 239.28 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).