1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol

C12H18F3N5O — CID 107409198

IUPAC1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cc(NN)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H18F3N5O/c1-11(21)3-2-5-20(6-4-11)9-7-8(19-16)17-10(18-9)12(13,14)15/h7,21H,2-6,16H2,1H3,(H,17,18,19)
InChIKeyVCFPZBPDFOQQHR-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.52
Rot. Bonds2

About 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol

1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol (PubChem CID 107409198) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol
PubChem CID107409198
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cc(NN)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H18F3N5O/c1-11(21)3-2-5-20(6-4-11)9-7-8(19-16)17-10(18-9)12(13,14)15/h7,21H,2-6,16H2,1H3,(H,17,18,19)
InChIKeyVCFPZBPDFOQQHR-UHFFFAOYSA-N
XLogP1.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
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-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409168
1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409100
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409033
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250
[6-(2-ethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775371
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102
2-(4-hydroxy-4-methylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107404487
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775768
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
CID 106775529
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775519

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol?
The IUPAC name of 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol (CID 107409198) is 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol is CC1(O)CCCN(c2cc(NN)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol?
The InChIKey is VCFPZBPDFOQQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-11(21)3-2-5-20(6-4-11)9-7-8(19-16)17-10(18-9)12(13,14)15/h7,21H,2-6,16H2,1H3,(H,17,18,19).
What are the key properties of 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol?
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol has a molecular weight of 305.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylazepan-4-ol is sourced from PubChem (CID 107409198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).