N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline

C13H19N5O — CID 62429506

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CCn1cc(CN)nn1
InChIInChI=1S/C13H19N5O/c1-17(12-5-3-4-6-13(12)19-2)7-8-18-10-11(9-14)15-16-18/h3-6,10H,7-9,14H2,1-2H3
InChIKeyQOOBJENVYHCJAQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.88
Rot. Bonds6

About N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline (PubChem CID 62429506) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline
PubChem CID62429506
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)CCn1cc(CN)nn1
InChIInChI=1S/C13H19N5O/c1-17(12-5-3-4-6-13(12)19-2)7-8-18-10-11(9-14)15-16-18/h3-6,10H,7-9,14H2,1-2H3
InChIKeyQOOBJENVYHCJAQ-UHFFFAOYSA-N
XLogP0.88
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline (CID 62429506) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)CCn1cc(CN)nn1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline?
The InChIKey is QOOBJENVYHCJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-17(12-5-3-4-6-13(12)19-2)7-8-18-10-11(9-14)15-16-18/h3-6,10H,7-9,14H2,1-2H3.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline has a molecular weight of 261.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 62429506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).