6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one

C14H17N5O — CID 135682730

IUPAC6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one
SMILESCCC=CNNc1nnc(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H17N5O/c1-2-3-9-15-18-14-16-13(20)12(17-19-14)10-11-7-5-4-6-8-11/h3-9,15H,2,10H2,1H3,(H2,16,18,19,20)
InChIKeyIKWYUKJCAZZTAE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.60
Rot. Bonds6

About 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one

6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one (PubChem CID 135682730) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one
PubChem CID135682730
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one
SMILESCCC=CNNc1nnc(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H17N5O/c1-2-3-9-15-18-14-16-13(20)12(17-19-14)10-11-7-5-4-6-8-11/h3-9,15H,2,10H2,1H3,(H2,16,18,19,20)
InChIKeyIKWYUKJCAZZTAE-UHFFFAOYSA-N
XLogP1.60
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135774769
6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
CID 135510455
6-benzyl-3-(2-fluoroanilino)-4H-1,2,4-triazin-5-one
CID 135582178
6-benzyl-3-(3-butoxypropylamino)-4H-1,2,4-triazin-5-one
CID 136779629
6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135439788
6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135456443
6-benzyl-3-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135544495
6-benzyl-5-oxo-4H-1,2,4-triazine-3-thiolate;dimethylazanium
CID 135412190
6-benzyl-5-oxo-4H-1,2,4-triazine-3-thiolate;diethylazanium
CID 135412192
6-benzyl-3-propylsulfanyl-4H-1,2,4-triazin-5-one
CID 135656487

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one (CID 135682730) is 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one is CCC=CNNc1nnc(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one?
The InChIKey is IKWYUKJCAZZTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-3-9-15-18-14-16-13(20)12(17-19-14)10-11-7-5-4-6-8-11/h3-9,15H,2,10H2,1H3,(H2,16,18,19,20).
What are the key properties of 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one?
6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one has a molecular weight of 271.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135682730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).