4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine

C14H21N5 — CID 62756674

IUPAC4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2cn(C)nn2)cc1
InChIInChI=1S/C14H21N5/c1-4-19(5-2)14-8-6-12(7-9-14)15-10-13-11-18(3)17-16-13/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyIKGLFWZLKZJIQH-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.27
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine (PubChem CID 62756674) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine
PubChem CID62756674
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2cn(C)nn2)cc1
InChIInChI=1S/C14H21N5/c1-4-19(5-2)14-8-6-12(7-9-14)15-10-13-11-18(3)17-16-13/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyIKGLFWZLKZJIQH-UHFFFAOYSA-N
XLogP2.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.27
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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Related Compounds

N-ethyl-4-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757413
3-N,3-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,3-diamine
CID 113297450
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
N-[(1-methyltriazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 55113462
6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 62756492
3,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757012
[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
CID 62757407
N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
CID 127015751
3-chloro-N-[(1-methyltriazol-4-yl)methyl]-4-propoxyaniline
CID 55113512
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
N-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylaniline
CID 62756845
N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 62755770

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine (CID 62756674) is 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine is CCN(CC)c1ccc(NCc2cn(C)nn2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine?
The InChIKey is IKGLFWZLKZJIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-19(5-2)14-8-6-12(7-9-14)15-10-13-11-18(3)17-16-13/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 62756674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).