(5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one

C17H21N5O3 — CID 137262582

IUPAC(5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\N=C\c1cccc(OC)c1OCCCCC
InChIInChI=1S/C17H21N5O3/c1-4-5-6-10-25-15-13(8-7-9-14(15)24-3)11-18-21-16-12(2)20-22-17(23)19-16/h7-9,11H,2,4-6,10H2,1,3H3,(H,19,21,23)/b18-11+
InChIKeyMAWUKDJTHKMISU-WOJGMQOQSA-N
MW343.39 g/mol
LogP3.69
Rot. Bonds8

About (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one

(5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one (PubChem CID 137262582) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
PubChem CID137262582
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
SMILESC=C1N=NC(=O)N/C1=N\N=C\c1cccc(OC)c1OCCCCC
InChIInChI=1S/C17H21N5O3/c1-4-5-6-10-25-15-13(8-7-9-14(15)24-3)11-18-21-16-12(2)20-22-17(23)19-16/h7-9,11H,2,4-6,10H2,1,3H3,(H,19,21,23)/b18-11+
InChIKeyMAWUKDJTHKMISU-WOJGMQOQSA-N
XLogP3.69
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(E)-(2-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
CID 137275682
(5E)-5-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
CID 137275675
2-[(2-hexoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168590982
2-[2-[(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620142
2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168592546
ethyl 4-[2-methoxy-6-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]butanoate
CID 168575623
(E)-3-(2-heptoxy-3-methoxyphenyl)prop-2-enoic acid
CID 43471820
N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3495029
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
N-(3,4-dichlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4019007
N-(4-chlorophenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]propanediamide
CID 4651811
methyl (2E)-2-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172924823

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one?
The IUPAC name of (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one (CID 137262582) is (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one.
What is the SMILES notation for (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one?
The canonical SMILES for (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one is C=C1N=NC(=O)N/C1=N\N=C\c1cccc(OC)c1OCCCCC.
What is the InChIKey of (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one?
The InChIKey is MAWUKDJTHKMISU-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-4-5-6-10-25-15-13(8-7-9-14(15)24-3)11-18-21-16-12(2)20-22-17(23)19-16/h7-9,11H,2,4-6,10H2,1,3H3,(H,19,21,23)/b18-11+.
What are the key properties of (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one?
(5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one has a molecular weight of 343.39 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 137262582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).