4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H14N8 — CID 80912003

IUPAC4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(NN)nc(-n3cccn3)n2)cc1
InChIInChI=1S/C13H14N8/c1-9-3-5-10(6-4-9)16-11-17-12(20-14)19-13(18-11)21-8-2-7-15-21/h2-8H,14H2,1H3,(H2,16,17,18,19,20)
InChIKeyNJJSTICMFXYQOF-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.39
Rot. Bonds4

About 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80912003) has the molecular formula C13H14N8 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80912003
Molecular FormulaC13H14N8
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(NN)nc(-n3cccn3)n2)cc1
InChIInChI=1S/C13H14N8/c1-9-3-5-10(6-4-9)16-11-17-12(20-14)19-13(18-11)21-8-2-7-15-21/h2-8H,14H2,1H3,(H2,16,17,18,19,20)
InChIKeyNJJSTICMFXYQOF-UHFFFAOYSA-N
XLogP1.39
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80736572
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869497
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539
4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
2-N-(3-bromophenyl)-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80736723
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
4-hydrazinyl-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80938213

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80912003) is 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(NN)nc(-n3cccn3)n2)cc1.
What is the InChIKey of 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NJJSTICMFXYQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8/c1-9-3-5-10(6-4-9)16-11-17-12(20-14)19-13(18-11)21-8-2-7-15-21/h2-8H,14H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80912003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).