6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one

C10H11N5O — CID 135408009

IUPAC6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
SMILESNNc1nnc(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H11N5O/c11-13-10-12-9(16)8(14-15-10)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,13,15,16)
InChIKeyNEKXLDHACYGHCD-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.04
Rot. Bonds3

About 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one

6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one (PubChem CID 135408009) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
PubChem CID135408009
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
SMILESNNc1nnc(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H11N5O/c11-13-10-12-9(16)8(14-15-10)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,13,15,16)
InChIKeyNEKXLDHACYGHCD-UHFFFAOYSA-N
XLogP0.04
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-anilinoanilino)-6-benzyl-4H-1,2,4-triazin-5-one
CID 135594235
6-benzyl-3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135774769
6-benzyl-3-(2-fluoroanilino)-4H-1,2,4-triazin-5-one
CID 135582178
6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
CID 135510455
6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one
CID 135682730
6-benzyl-3-[4-(pyrrolidin-1-ylmethyl)anilino]-4H-1,2,4-triazin-5-one
CID 136683658
6-benzyl-3-(3-butoxypropylamino)-4H-1,2,4-triazin-5-one
CID 136779629
6-benzyl-3-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135544495
6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135456443
6-benzyl-5-oxo-4H-1,2,4-triazine-3-thiolate;dimethylazanium
CID 135412190
6-benzyl-3-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135520951
6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135439788

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one (CID 135408009) is 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one is NNc1nnc(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one?
The InChIKey is NEKXLDHACYGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-13-10-12-9(16)8(14-15-10)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,13,15,16).
What are the key properties of 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one?
6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one has a molecular weight of 217.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135408009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).