[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

C12H15Cl2N5 — CID 105209742

IUPAC[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCn1ncnc1CC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C12H15Cl2N5/c1-19-12(16-7-17-19)6-8(18-15)5-9-10(13)3-2-4-11(9)14/h2-4,7-8,18H,5-6,15H2,1H3
InChIKeyCHCQLXXBJWLARK-UHFFFAOYSA-N
MW300.19 g/mol
LogP1.74
Rot. Bonds5

About [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105209742) has the molecular formula C12H15Cl2N5 and a molecular weight of 300.19 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
PubChem CID105209742
Molecular FormulaC12H15Cl2N5
Molecular Weight300.19 g/mol
Exact Mass299.07
IUPAC Name[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCn1ncnc1CC(Cc1c(Cl)cccc1Cl)NN
InChIInChI=1S/C12H15Cl2N5/c1-19-12(16-7-17-19)6-8(18-15)5-9-10(13)3-2-4-11(9)14/h2-4,7-8,18H,5-6,15H2,1H3
InChIKeyCHCQLXXBJWLARK-UHFFFAOYSA-N
XLogP1.74
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-chloro-2-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105264351
[1-(2-methyl-1,2,4-triazol-3-yl)-3-naphthalen-1-ylpropan-2-yl]hydrazine
CID 105316461
[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026695
[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204984
[1-ethoxy-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235263
[4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 103025371
[1-ethylsulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105225311
[1-(2,6-dichlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105209868
[1-(2,6-dichlorophenyl)-4-methoxypentan-2-yl]hydrazine
CID 105266951
[1-(2-chloro-6-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105289114
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105216057
[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105216048

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (CID 105209742) is [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is Cn1ncnc1CC(Cc1c(Cl)cccc1Cl)NN.
What is the InChIKey of [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is CHCQLXXBJWLARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5/c1-19-12(16-7-17-19)6-8(18-15)5-9-10(13)3-2-4-11(9)14/h2-4,7-8,18H,5-6,15H2,1H3.
What are the key properties of [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 300.19 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105209742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).