N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide

C13H15N5O4 — CID 54341556

IUPACN'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
SMILESCOc1ccc(-n2cnc(NNC(C)=O)nc2=O)cc1OC
InChIInChI=1S/C13H15N5O4/c1-8(19)16-17-12-14-7-18(13(20)15-12)9-4-5-10(21-2)11(6-9)22-3/h4-7H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyTZHSBLQNHFHHNM-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.11
Rot. Bonds5

About N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide

N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide (PubChem CID 54341556) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
PubChem CID54341556
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC NameN'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide
SMILESCOc1ccc(-n2cnc(NNC(C)=O)nc2=O)cc1OC
InChIInChI=1S/C13H15N5O4/c1-8(19)16-17-12-14-7-18(13(20)15-12)9-4-5-10(21-2)11(6-9)22-3/h4-7H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeyTZHSBLQNHFHHNM-UHFFFAOYSA-N
XLogP0.11
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide?
The IUPAC name of N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide (CID 54341556) is N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide.
What is the SMILES notation for N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide?
The canonical SMILES for N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide is COc1ccc(-n2cnc(NNC(C)=O)nc2=O)cc1OC.
What is the InChIKey of N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide?
The InChIKey is TZHSBLQNHFHHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c1-8(19)16-17-12-14-7-18(13(20)15-12)9-4-5-10(21-2)11(6-9)22-3/h4-7H,1-3H3,(H,16,19)(H,15,17,20).
What are the key properties of N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide?
N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide has a molecular weight of 305.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(3,4-dimethoxyphenyl)-4-oxo-1,3,5-triazin-2-yl]acetohydrazide is sourced from PubChem (CID 54341556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).