N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline

C16H25N5 — CID 62423786

IUPACN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
SMILESCCN(CCn1cc(CNC(C)C)nn1)c1ccccc1
InChIInChI=1S/C16H25N5/c1-4-20(16-8-6-5-7-9-16)10-11-21-13-15(18-19-21)12-17-14(2)3/h5-9,13-14,17H,4,10-12H2,1-3H3
InChIKeyOAIVOUUGEODKKK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.30
Rot. Bonds8

About N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline

N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline (PubChem CID 62423786) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
PubChem CID62423786
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
SMILESCCN(CCn1cc(CNC(C)C)nn1)c1ccccc1
InChIInChI=1S/C16H25N5/c1-4-20(16-8-6-5-7-9-16)10-11-21-13-15(18-19-21)12-17-14(2)3/h5-9,13-14,17H,4,10-12H2,1-3H3
InChIKeyOAIVOUUGEODKKK-UHFFFAOYSA-N
XLogP2.30
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline 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

N,4-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62431050
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
N,N,N'-trimethyl-N'-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]ethane-1,2-diamine
CID 63727022
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
CID 62423750
N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 62424016
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
N-[[1-[2-[cyclopentylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63655308
N-[[1-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62432380
N-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 55076942
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]propan-2-amine
CID 66193179
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66192029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline?
The IUPAC name of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline (CID 62423786) is N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline.
What is the SMILES notation for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline?
The canonical SMILES for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline is CCN(CCn1cc(CNC(C)C)nn1)c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline?
The InChIKey is OAIVOUUGEODKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-4-20(16-8-6-5-7-9-16)10-11-21-13-15(18-19-21)12-17-14(2)3/h5-9,13-14,17H,4,10-12H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline?
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline is sourced from PubChem (CID 62423786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).