N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide

C12H12ClN5O — CID 21152902

IUPACN-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide
SMILESCCC(=O)N(N)c1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN5O/c1-2-11(19)18(14)12-16-10(7-15-17-12)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3
InChIKeyJIVYBUYDABYNEM-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.81
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide

N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide (PubChem CID 21152902) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide
PubChem CID21152902
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC NameN-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide
SMILESCCC(=O)N(N)c1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN5O/c1-2-11(19)18(14)12-16-10(7-15-17-12)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3
InChIKeyJIVYBUYDABYNEM-UHFFFAOYSA-N
XLogP1.81
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide (CID 21152902) is N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide is CCC(=O)N(N)c1nncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide?
The InChIKey is JIVYBUYDABYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-2-11(19)18(14)12-16-10(7-15-17-12)8-3-5-9(13)6-4-8/h3-7H,2,14H2,1H3.
What are the key properties of N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide?
N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide has a molecular weight of 277.72 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide is sourced from PubChem (CID 21152902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).