1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide

C13H17ClN6O — CID 63578074

IUPAC1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide
SMILESCN(CCn1cc(C(=O)NN)nn1)Cc1ccccc1Cl
InChIInChI=1S/C13H17ClN6O/c1-19(8-10-4-2-3-5-11(10)14)6-7-20-9-12(17-18-20)13(21)16-15/h2-5,9H,6-8,15H2,1H3,(H,16,21)
InChIKeyIMGLVCZLOZQGEB-UHFFFAOYSA-N
MW308.77 g/mol
LogP0.67
Rot. Bonds6

About 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide

1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide (PubChem CID 63578074) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide
PubChem CID63578074
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide
SMILESCN(CCn1cc(C(=O)NN)nn1)Cc1ccccc1Cl
InChIInChI=1S/C13H17ClN6O/c1-19(8-10-4-2-3-5-11(10)14)6-7-20-9-12(17-18-20)13(21)16-15/h2-5,9H,6-8,15H2,1H3,(H,16,21)
InChIKeyIMGLVCZLOZQGEB-UHFFFAOYSA-N
XLogP0.67
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42468640
1-[2-[(2-chlorophenyl)methoxy]ethyl]triazole-4-carbohydrazide
CID 63586475
1-[2-[furan-2-ylmethyl(methyl)amino]ethyl]triazole-4-carbohydrazide
CID 55214989
1-[2-[methyl(2-methylsulfonylethyl)amino]ethyl]triazole-4-carbohydrazide
CID 79859256
1-[2-[benzyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
CID 63573811
6-[[(2-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909258
1-[2-[2-cyanopropyl(methyl)amino]ethyl]triazole-4-carbohydrazide
CID 63583580
1-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290988
1-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]triazole-4-carbohydrazide
CID 63584216
1-[2-(4-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584927
1-[2-(2-ethylphenoxy)ethyl]triazole-4-carbohydrazide
CID 63569793
1-[2-(N-ethyl-2-fluoroanilino)ethyl]triazole-4-carbohydrazide
CID 63583992

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide (CID 63578074) is 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide is CN(CCn1cc(C(=O)NN)nn1)Cc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide?
The InChIKey is IMGLVCZLOZQGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-19(8-10-4-2-3-5-11(10)14)6-7-20-9-12(17-18-20)13(21)16-15/h2-5,9H,6-8,15H2,1H3,(H,16,21).
What are the key properties of 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide?
1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide has a molecular weight of 308.77 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63578074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).