[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine

C12H15F3N6 — CID 107066944

IUPAC[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
SMILESCn1nnc(CC(Cc2ccc(C(F)(F)F)cc2)NN)n1
InChIInChI=1S/C12H15F3N6/c1-21-19-11(18-20-21)7-10(17-16)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,10,17H,6-7,16H2,1H3
InChIKeyPXNWVLJMCWLAKF-UHFFFAOYSA-N
MW300.29 g/mol
LogP0.85
Rot. Bonds5

About [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine

[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine (PubChem CID 107066944) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
PubChem CID107066944
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
SMILESCn1nnc(CC(Cc2ccc(C(F)(F)F)cc2)NN)n1
InChIInChI=1S/C12H15F3N6/c1-21-19-11(18-20-21)7-10(17-16)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,10,17H,6-7,16H2,1H3
InChIKeyPXNWVLJMCWLAKF-UHFFFAOYSA-N
XLogP0.85
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[1-(2-methyltetrazol-5-yl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 107066017
2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066373
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066767
[1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105195282
1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107048734
[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
CID 107066099
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
N-ethyl-1-(2-methyltetrazol-5-yl)-3-pyridin-4-ylpropan-2-amine
CID 107048946
[4-cyclopentyl-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066854
[5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-yl]hydrazine
CID 107066112
3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105259272
2-(2-methyltetrazol-5-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 107065711

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The IUPAC name of [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine (CID 107066944) is [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine is Cn1nnc(CC(Cc2ccc(C(F)(F)F)cc2)NN)n1.
What is the InChIKey of [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The InChIKey is PXNWVLJMCWLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-21-19-11(18-20-21)7-10(17-16)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,10,17H,6-7,16H2,1H3.
What are the key properties of [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine has a molecular weight of 300.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine is sourced from PubChem (CID 107066944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).