4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine

C13H20N6O — CID 138618306

IUPAC4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine
SMILESCN(C)CCn1cc(COc2ccc(N)c(N)c2)nn1
InChIInChI=1S/C13H20N6O/c1-18(2)5-6-19-8-10(16-17-19)9-20-11-3-4-12(14)13(15)7-11/h3-4,7-8H,5-6,9,14-15H2,1-2H3
InChIKeySGHWJLQHJQYZBG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.58
Rot. Bonds6

About 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine

4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine (PubChem CID 138618306) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine
PubChem CID138618306
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine
SMILESCN(C)CCn1cc(COc2ccc(N)c(N)c2)nn1
InChIInChI=1S/C13H20N6O/c1-18(2)5-6-19-8-10(16-17-19)9-20-11-3-4-12(14)13(15)7-11/h3-4,7-8H,5-6,9,14-15H2,1-2H3
InChIKeySGHWJLQHJQYZBG-UHFFFAOYSA-N
XLogP0.58
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
1-[1-[2-(dimethylamino)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90931320
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
N-[2-[4-[(3-chlorophenoxy)methyl]triazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 166265955
3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol
CID 165456647
2-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-bis[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethyl]ethanamine
CID 139251714
2-amino-3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]propanoic acid
CID 116734904
1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl]-4-[[4-[4-[[1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazole
CID 101496236
[4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040773
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
1-(2-isocyanoethyl)-4-(phenoxymethyl)triazole
CID 45378743
1-methyl-4-[(3-methylphenoxy)methyl]triazole
CID 103866173

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine?
The IUPAC name of 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine (CID 138618306) is 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine is CN(C)CCn1cc(COc2ccc(N)c(N)c2)nn1.
What is the InChIKey of 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine?
The InChIKey is SGHWJLQHJQYZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-18(2)5-6-19-8-10(16-17-19)9-20-11-3-4-12(14)13(15)7-11/h3-4,7-8H,5-6,9,14-15H2,1-2H3.
What are the key properties of 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine?
4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine has a molecular weight of 276.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]benzene-1,2-diamine is sourced from PubChem (CID 138618306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).