6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine

C13H14F3N5 — CID 145270326

IUPAC6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(Cc2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C13H14F3N5/c14-13(15,16)9-3-1-7(2-4-9)5-8-6-10(17)20-12(21-19)11(8)18/h1-4,6H,5,18-19H2,(H3,17,20,21)
InChIKeyYEHVVPIAFYZZMC-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.14
Rot. Bonds3

About 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine

6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine (PubChem CID 145270326) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
PubChem CID145270326
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(Cc2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C13H14F3N5/c14-13(15,16)9-3-1-7(2-4-9)5-8-6-10(17)20-12(21-19)11(8)18/h1-4,6H,5,18-19H2,(H3,17,20,21)
InChIKeyYEHVVPIAFYZZMC-UHFFFAOYSA-N
XLogP2.14
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.14
H-Bond Donors ≤ 54
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-p-Tolyl-quinoxalin-2-yl)-hydrazine
CID 950668
1-(6-Methyl-4-(trifluoromethyl)-2-pyridyl)hydrazine
CID 2775684
3-[(4-Methylphenyl)diazenyl]pyridine-2,6-diamine
CID 154162390
3-[[4-(Trifluoromethyl)phenyl]diazenyl]pyridine-2,6-diamine
CID 178307502
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
4-Methyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178317033
[6-Phenyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 21818176
2-Hydrazino-4,6-bis(trifluoromethyl)pyridine
CID 2764607
2-Amino-4-phenyl-6-(trifluoromethyl)pyridine
CID 118991241
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 139224363
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide
CID 139224364
N-[[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]amino]formamide
CID 139224389

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine?
The IUPAC name of 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine (CID 145270326) is 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine is NNc1nc(N)cc(Cc2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine?
The InChIKey is YEHVVPIAFYZZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c14-13(15,16)9-3-1-7(2-4-9)5-8-6-10(17)20-12(21-19)11(8)18/h1-4,6H,5,18-19H2,(H3,17,20,21).
What are the key properties of 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine?
6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine has a molecular weight of 297.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine is sourced from PubChem (CID 145270326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).