[(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine

C12H15F2N5 — CID 114213669

IUPAC[(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine
SMILESCCn1nncc1C(NN)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H15F2N5/c1-3-19-9(6-16-18-19)12(17-15)10-8(13)5-4-7(2)11(10)14/h4-6,12,17H,3,15H2,1-2H3
InChIKeyXBBHZQCKPPWQQN-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.44
Rot. Bonds4

About [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine

[(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine (PubChem CID 114213669) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine
PubChem CID114213669
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name[(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine
SMILESCCn1nncc1C(NN)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H15F2N5/c1-3-19-9(6-16-18-19)12(17-15)10-8(13)5-4-7(2)11(10)14/h4-6,12,17H,3,15H2,1-2H3
InChIKeyXBBHZQCKPPWQQN-UHFFFAOYSA-N
XLogP1.44
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
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

[(2,6-difluoro-3-methylphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105330191
[(3-ethyltriazol-4-yl)-quinolin-2-ylmethyl]hydrazine
CID 114213634
[(1,3-diethylpyrazol-5-yl)-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213661
[(2,6-difluoro-3-methylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105330178
[(3-ethyltriazol-4-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 114213659
(3-ethyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 114213305
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105175912
[(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302737
[(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204027
(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148
[(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105246676
[(2,6-difluoro-3-methylphenyl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105330265

Frequently Asked Questions

What is the IUPAC name of [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine (CID 114213669) is [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine is CCn1nncc1C(NN)c1c(F)ccc(C)c1F.
What is the InChIKey of [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine?
The InChIKey is XBBHZQCKPPWQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-3-19-9(6-16-18-19)12(17-15)10-8(13)5-4-7(2)11(10)14/h4-6,12,17H,3,15H2,1-2H3.
What are the key properties of [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine?
[(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine has a molecular weight of 267.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 114213669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).