[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine

C12H13ClN4 — CID 105308730

IUPAC[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
SMILESCc1cccc(C(NN)c2cnccn2)c1Cl
InChIInChI=1S/C12H13ClN4/c1-8-3-2-4-9(11(8)13)12(17-14)10-7-15-5-6-16-10/h2-7,12,17H,14H2,1H3
InChIKeyNOWZXZXXTIDIBD-UHFFFAOYSA-N
MW248.72 g/mol
LogP1.99
Rot. Bonds3

About [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine

[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine (PubChem CID 105308730) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
PubChem CID105308730
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
SMILESCc1cccc(C(NN)c2cnccn2)c1Cl
InChIInChI=1S/C12H13ClN4/c1-8-3-2-4-9(11(8)13)12(17-14)10-7-15-5-6-16-10/h2-7,12,17H,14H2,1H3
InChIKeyNOWZXZXXTIDIBD-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(3-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308722
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 107984997
1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085229
[(2-chloro-3-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140793
[[2-(2-methoxyethoxy)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 105203487
[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288165
[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 105250401
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
[(2-chloro-3-methylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105287597
1-(3-bromo-2-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860344
[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308636

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine?
The IUPAC name of [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine (CID 105308730) is [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine?
The canonical SMILES for [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine is Cc1cccc(C(NN)c2cnccn2)c1Cl.
What is the InChIKey of [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine?
The InChIKey is NOWZXZXXTIDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-8-3-2-4-9(11(8)13)12(17-14)10-7-15-5-6-16-10/h2-7,12,17H,14H2,1H3.
What are the key properties of [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine?
[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine has a molecular weight of 248.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine is sourced from PubChem (CID 105308730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).