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

C15H13N5O2 — CID 135412047

IUPAC3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2c(O)ccc3ccccc23)[nH]c1=O
InChIInChI=1S/C15H13N5O2/c1-9-14(22)17-15(20-18-9)19-16-8-12-11-5-3-2-4-10(11)6-7-13(12)21/h2-8,21H,1H3,(H2,17,19,20,22)/b16-8+
InChIKeyJRIQEJHWIVZQGV-LZYBPNLTSA-N
MW295.30 g/mol
LogP1.78
Rot. Bonds3

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

3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135412047) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135412047
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2c(O)ccc3ccccc23)[nH]c1=O
InChIInChI=1S/C15H13N5O2/c1-9-14(22)17-15(20-18-9)19-16-8-12-11-5-3-2-4-10(11)6-7-13(12)21/h2-8,21H,1H3,(H2,17,19,20,22)/b16-8+
InChIKeyJRIQEJHWIVZQGV-LZYBPNLTSA-N
XLogP1.78
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135412047) is 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C/c2c(O)ccc3ccccc23)[nH]c1=O.
What is the InChIKey of 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is JRIQEJHWIVZQGV-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-9-14(22)17-15(20-18-9)19-16-8-12-11-5-3-2-4-10(11)6-7-13(12)21/h2-8,21H,1H3,(H2,17,19,20,22)/b16-8+.
What are the key properties of 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 295.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).