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

C12H12ClN5O — CID 3053068

IUPACN'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide
SMILESCCC(=O)NNc1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN5O/c1-2-11(19)16-18-12-15-10(7-14-17-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyPQZFHDKORYQQSD-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.05
Rot. Bonds4

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 3053068) 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 CID3053068
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC NameN'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide
SMILESCCC(=O)NNc1nncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN5O/c1-2-11(19)16-18-12-15-10(7-14-17-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyPQZFHDKORYQQSD-UHFFFAOYSA-N
XLogP2.05
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 3053068) 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)NNc1nncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N'-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]propanehydrazide?
The InChIKey is PQZFHDKORYQQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-2-11(19)16-18-12-15-10(7-14-17-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,16,19)(H,15,17,18).
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 2.05, 4 rotatable bonds, 2 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 3053068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).