N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide

C16H19N5O — CID 3053069

IUPACN'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide
SMILESO=C(NNc1nncc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C16H19N5O/c22-15(13-9-5-2-6-10-13)19-21-16-18-14(11-17-20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,19,22)(H,18,20,21)
InChIKeyAMILWVRTDABTCB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds4

About N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide

N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide (PubChem CID 3053069) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide
PubChem CID3053069
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide
SMILESO=C(NNc1nncc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C16H19N5O/c22-15(13-9-5-2-6-10-13)19-21-16-18-14(11-17-20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,19,22)(H,18,20,21)
InChIKeyAMILWVRTDABTCB-UHFFFAOYSA-N
XLogP2.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
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'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide?
The IUPAC name of N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide (CID 3053069) is N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide.
What is the SMILES notation for N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide?
The canonical SMILES for N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide is O=C(NNc1nncc(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide?
The InChIKey is AMILWVRTDABTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-15(13-9-5-2-6-10-13)19-21-16-18-14(11-17-20-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,19,22)(H,18,20,21).
What are the key properties of N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide?
N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide has a molecular weight of 297.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-phenyl-1,2,4-triazin-3-yl)cyclohexanecarbohydrazide is sourced from PubChem (CID 3053069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).