4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline

C14H21N5 — CID 82195462

IUPAC4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-n2nnc(CN)c2C)cc1
InChIInChI=1S/C14H21N5/c1-4-18(5-2)12-6-8-13(9-7-12)19-11(3)14(10-15)16-17-19/h6-9H,4-5,10,15H2,1-3H3
InChIKeyAFGYDQNYJIXKKZ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.88
Rot. Bonds5

About 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline

4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline (PubChem CID 82195462) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline
PubChem CID82195462
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-n2nnc(CN)c2C)cc1
InChIInChI=1S/C14H21N5/c1-4-18(5-2)12-6-8-13(9-7-12)19-11(3)14(10-15)16-17-19/h6-9H,4-5,10,15H2,1-3H3
InChIKeyAFGYDQNYJIXKKZ-UHFFFAOYSA-N
XLogP1.88
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline?
The IUPAC name of 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline (CID 82195462) is 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline.
What is the SMILES notation for 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline?
The canonical SMILES for 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline is CCN(CC)c1ccc(-n2nnc(CN)c2C)cc1.
What is the InChIKey of 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline?
The InChIKey is AFGYDQNYJIXKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-18(5-2)12-6-8-13(9-7-12)19-11(3)14(10-15)16-17-19/h6-9H,4-5,10,15H2,1-3H3.
What are the key properties of 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline?
4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline has a molecular weight of 259.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline is sourced from PubChem (CID 82195462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).