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

C16H15N5O2 — CID 135439788

IUPAC6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1ccc(/C=N/Nc2nnc(Cc3ccccc3)c(=O)[nH]2)o1
InChIInChI=1S/C16H15N5O2/c1-11-7-8-13(23-11)10-17-20-16-18-15(22)14(19-21-16)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,20,21,22)/b17-10+
InChIKeyBRNILPALSNSGKI-LICLKQGHSA-N
MW309.33 g/mol
LogP2.10
Rot. Bonds5

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

6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135439788) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135439788
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1ccc(/C=N/Nc2nnc(Cc3ccccc3)c(=O)[nH]2)o1
InChIInChI=1S/C16H15N5O2/c1-11-7-8-13(23-11)10-17-20-16-18-15(22)14(19-21-16)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,20,21,22)/b17-10+
InChIKeyBRNILPALSNSGKI-LICLKQGHSA-N
XLogP2.10
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.10
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'}

Analyze 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one with MolForge

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Related Compounds

6-benzyl-3-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135544495
6-benzyl-3-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135520951
bis(6-benzyl-3-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one);tris(N,N-dimethylformamide)
CID 146048921
6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135456443
6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
CID 135408009
3-(4-anilinoanilino)-6-benzyl-4H-1,2,4-triazin-5-one
CID 135594235
6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
CID 135510455
6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135517100
6-benzyl-3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135774769
6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one
CID 135682730
6-benzyl-3-(3-butoxypropylamino)-4H-1,2,4-triazin-5-one
CID 136779629
6-benzyl-3-(2-fluoroanilino)-4H-1,2,4-triazin-5-one
CID 135582178

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135439788) is 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is Cc1ccc(/C=N/Nc2nnc(Cc3ccccc3)c(=O)[nH]2)o1.
What is the InChIKey of 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is BRNILPALSNSGKI-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-7-8-13(23-11)10-17-20-16-18-15(22)14(19-21-16)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,20,21,22)/b17-10+.
What are the key properties of 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 309.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135439788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).