6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

C18H17N5O2 — CID 2789664

IUPAC6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NN=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17N5O2/c1-13-17(20-18(24)23-21-13)22-19-11-15-8-5-9-16(10-15)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H2,20,22,23,24)
InChIKeyNMTDGFDXNALCFQ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.50
Rot. Bonds6

About 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one

6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (PubChem CID 2789664) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
PubChem CID2789664
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1NN=Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17N5O2/c1-13-17(20-18(24)23-21-13)22-19-11-15-8-5-9-16(10-15)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H2,20,22,23,24)
InChIKeyNMTDGFDXNALCFQ-UHFFFAOYSA-N
XLogP2.50
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-[2-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 71966404
5-[2-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967176
5-[(2Z)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 7231563
6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789675
5-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71966470
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
5-[(2Z)-2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 40588294
5-[2-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71966406
6-methyl-5-[(2E)-2-[[4-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110514489
6-methyl-5-[(2Z)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 7231540
5-[(2E)-2-[(3-chloro-4-propoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 110514462
5-[2-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967175

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The IUPAC name of 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one (CID 2789664) is 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1NN=Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
The InChIKey is NMTDGFDXNALCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13-17(20-18(24)23-21-13)22-19-11-15-8-5-9-16(10-15)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H2,20,22,23,24).
What are the key properties of 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one?
6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one has a molecular weight of 335.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2789664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).