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

C9H15N5O2 — CID 107142608

IUPAC2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid
SMILESCn1cnnc1CNC1(CC(=O)O)CNC1
InChIInChI=1S/C9H15N5O2/c1-14-6-12-13-7(14)3-11-9(2-8(15)16)4-10-5-9/h6,10-11H,2-5H2,1H3,(H,15,16)
InChIKeyGHMVWKQEDDKMFW-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.28
Rot. Bonds5

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

2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid (PubChem CID 107142608) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid
PubChem CID107142608
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid
SMILESCn1cnnc1CNC1(CC(=O)O)CNC1
InChIInChI=1S/C9H15N5O2/c1-14-6-12-13-7(14)3-11-9(2-8(15)16)4-10-5-9/h6,10-11H,2-5H2,1H3,(H,15,16)
InChIKeyGHMVWKQEDDKMFW-UHFFFAOYSA-N
XLogP-1.28
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid
CID 107142609
2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid
CID 107143252
2-[3-[(4-bromophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142225
1-[[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451552
6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-6-oxohexanoic acid
CID 54895602
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 62119252
2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 116676800
2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid
CID 107142583
6-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]-6-oxohexanoic acid
CID 62118865
1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 62119059
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
2-[cyclopropyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]acetic acid
CID 55038204

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid (CID 107142608) is 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid is Cn1cnnc1CNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid?
The InChIKey is GHMVWKQEDDKMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14-6-12-13-7(14)3-11-9(2-8(15)16)4-10-5-9/h6,10-11H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid?
2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid has a molecular weight of 225.25 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).