[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine

C12H13ClN4O — CID 103061736

IUPAC[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCc1cc(OCc2cnc(NN)cn2)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-8-4-10(2-3-11(8)13)18-7-9-5-16-12(17-14)6-15-9/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyDTGMRLRZYLBVMP-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.30
Rot. Bonds4

About [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine

[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine (PubChem CID 103061736) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
PubChem CID103061736
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine
SMILESCc1cc(OCc2cnc(NN)cn2)ccc1Cl
InChIInChI=1S/C12H13ClN4O/c1-8-4-10(2-3-11(8)13)18-7-9-5-16-12(17-14)6-15-9/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyDTGMRLRZYLBVMP-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.30
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

5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057871
5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058876
[5-[(4-methylsulfanylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061930
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232634
2-[4-[(5-hydrazinylpyrazin-2-yl)methoxy]phenyl]acetonitrile
CID 103061807
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80917345
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061966
1-[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 107381641
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The IUPAC name of [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine (CID 103061736) is [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The canonical SMILES for [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine is Cc1cc(OCc2cnc(NN)cn2)ccc1Cl.
What is the InChIKey of [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine?
The InChIKey is DTGMRLRZYLBVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-4-10(2-3-11(8)13)18-7-9-5-16-12(17-14)6-15-9/h2-6H,7,14H2,1H3,(H,16,17).
What are the key properties of [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine?
[5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine has a molecular weight of 264.72 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-3-methylphenoxy)methyl]pyrazin-2-yl]hydrazine is sourced from PubChem (CID 103061736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).