4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline

C15H21N5O — CID 82199693

IUPAC4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-n2nnc(CN)c2C2CCCO2)cc1
InChIInChI=1S/C15H21N5O/c1-19(2)11-5-7-12(8-6-11)20-15(13(10-16)17-18-20)14-4-3-9-21-14/h5-8,14H,3-4,9-10,16H2,1-2H3
InChIKeyUFCQMZLTZDGEGN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.64
Rot. Bonds4

About 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline

4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline (PubChem CID 82199693) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
PubChem CID82199693
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-n2nnc(CN)c2C2CCCO2)cc1
InChIInChI=1S/C15H21N5O/c1-19(2)11-5-7-12(8-6-11)20-15(13(10-16)17-18-20)14-4-3-9-21-14/h5-8,14H,3-4,9-10,16H2,1-2H3
InChIKeyUFCQMZLTZDGEGN-UHFFFAOYSA-N
XLogP1.64
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline 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

1-[4-(dimethylamino)phenyl]-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82199653
2-[4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]phenyl]acetic acid
CID 82195563
[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82197241
[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82199059
[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82196348
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82221381
[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82205498
[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197956
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
4-[4-(aminomethyl)-5-(2-methylphenyl)triazol-1-yl]-N,N-dimethylaniline
CID 94939636
[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82200344

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline (CID 82199693) is 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline is CN(C)c1ccc(-n2nnc(CN)c2C2CCCO2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline?
The InChIKey is UFCQMZLTZDGEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(2)11-5-7-12(8-6-11)20-15(13(10-16)17-18-20)14-4-3-9-21-14/h5-8,14H,3-4,9-10,16H2,1-2H3.
What are the key properties of 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline?
4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline has a molecular weight of 287.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82199693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).