3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C15H17N7O2 — CID 135824540

IUPAC3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1cc(-n2c(C)cc(/C=N\Nc3nnc(C)c(=O)[nH]3)c2C)no1
InChIInChI=1S/C15H17N7O2/c1-8-5-12(11(4)22(8)13-6-9(2)24-21-13)7-16-19-15-17-14(23)10(3)18-20-15/h5-7H,1-4H3,(H2,17,19,20,23)/b16-7-
InChIKeyYGEHNENXWXRUTL-APSNUPSMSA-N
MW327.35 g/mol
LogP1.62
Rot. Bonds4

About 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135824540) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135824540
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1cc(-n2c(C)cc(/C=N\Nc3nnc(C)c(=O)[nH]3)c2C)no1
InChIInChI=1S/C15H17N7O2/c1-8-5-12(11(4)22(8)13-6-9(2)24-21-13)7-16-19-15-17-14(23)10(3)18-20-15/h5-7H,1-4H3,(H2,17,19,20,23)/b16-7-
InChIKeyYGEHNENXWXRUTL-APSNUPSMSA-N
XLogP1.62
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135824540) is 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1cc(-n2c(C)cc(/C=N\Nc3nnc(C)c(=O)[nH]3)c2C)no1.
What is the InChIKey of 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is YGEHNENXWXRUTL-APSNUPSMSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-8-5-12(11(4)22(8)13-6-9(2)24-21-13)7-16-19-15-17-14(23)10(3)18-20-15/h5-7H,1-4H3,(H2,17,19,20,23)/b16-7-.
What are the key properties of 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 327.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135824540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).