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

C12H13N5O2 — CID 3053956

IUPACN'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCOc1ccc(-c2cnnc(NNC(C)=O)n2)cc1
InChIInChI=1S/C12H13N5O2/c1-8(18)15-17-12-14-11(7-13-16-12)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyMDJBECCUQSTINT-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.01
Rot. Bonds4

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

N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide (PubChem CID 3053956) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
PubChem CID3053956
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide
SMILESCOc1ccc(-c2cnnc(NNC(C)=O)n2)cc1
InChIInChI=1S/C12H13N5O2/c1-8(18)15-17-12-14-11(7-13-16-12)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyMDJBECCUQSTINT-UHFFFAOYSA-N
XLogP1.01
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-{2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-ylidene}methyl]phenol
CID 135439774
3,4-Dihydroxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 135497924
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(4-methoxyphenyl)-
CID 3054503
1-(3-Phenyl-1,2,4-triazin-5-yl)ethanone (4-methoxyphenyl)hydrazone
CID 6412288
3-[(2E)-2-[(2E)-3-(Furan-2-YL)prop-2-EN-1-ylidene]hydrazin-1-YL]-5-(4-methoxyphenyl)-1,2,4-triazine
CID 9776887
3,4-Dimethoxybenzaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 9776892
4-Ethoxy-3-methoxybenzaldehyde (5-phenyl-1,2,4-triazin-3-yl)hydrazone
CID 9776894
Benzaldehyde, (5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)hydrazone
CID 24834231
as-Triazine, 5-(3,4-dimethoxyphenyl)-3-methoxy-
CID 3053037
as-Triazine, 5-(p-methoxyphenyl)-3-(methylthio)-
CID 3053042
as-Triazine, 3-methoxy-5-(p-methoxyphenyl)-
CID 3053044

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The IUPAC name of N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide (CID 3053956) is N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide.
What is the SMILES notation for N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The canonical SMILES for N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide is COc1ccc(-c2cnnc(NNC(C)=O)n2)cc1.
What is the InChIKey of N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
The InChIKey is MDJBECCUQSTINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8(18)15-17-12-14-11(7-13-16-12)9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide?
N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide has a molecular weight of 259.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]acetohydrazide is sourced from PubChem (CID 3053956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).