N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide

C14H17N5O2 — CID 135437929

IUPACN'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
SMILESCC(C)(C)c1nnc(NNC(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H17N5O2/c1-14(2,3)10-12(21)15-13(18-16-10)19-17-11(20)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,17,20)(H2,15,18,19,21)
InChIKeyJWQNDKIJROVZJM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.22
Rot. Bonds3

About N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide

N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide (PubChem CID 135437929) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
PubChem CID135437929
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
SMILESCC(C)(C)c1nnc(NNC(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H17N5O2/c1-14(2,3)10-12(21)15-13(18-16-10)19-17-11(20)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,17,20)(H2,15,18,19,21)
InChIKeyJWQNDKIJROVZJM-UHFFFAOYSA-N
XLogP1.22
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.22
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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Frequently Asked Questions

What is the IUPAC name of N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The IUPAC name of N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide (CID 135437929) is N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide.
What is the SMILES notation for N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The canonical SMILES for N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide is CC(C)(C)c1nnc(NNC(=O)c2ccccc2)[nH]c1=O.
What is the InChIKey of N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The InChIKey is JWQNDKIJROVZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-14(2,3)10-12(21)15-13(18-16-10)19-17-11(20)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,17,20)(H2,15,18,19,21).
What are the key properties of N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide has a molecular weight of 287.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide is sourced from PubChem (CID 135437929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).