(2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine

C12H14F2N4 — CID 112744204

IUPAC(2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine
SMILESCCn1ncnc1C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H14F2N4/c1-3-18-12(16-6-17-18)11(15)9-8(13)5-4-7(2)10(9)14/h4-6,11H,3,15H2,1-2H3
InChIKeySFZPOQHCZWFDOB-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.93
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine

(2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112744204) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine
PubChem CID112744204
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine
SMILESCCn1ncnc1C(N)c1c(F)ccc(C)c1F
InChIInChI=1S/C12H14F2N4/c1-3-18-12(16-6-17-18)11(15)9-8(13)5-4-7(2)10(9)14/h4-6,11H,3,15H2,1-2H3
InChIKeySFZPOQHCZWFDOB-UHFFFAOYSA-N
XLogP1.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(2,6-dichlorophenyl)-(2-propyl-1,2,4-triazol-3-yl)methanamine
CID 112744766
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
(2,6-difluoro-3-methylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 82823215
(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105175854
[(2,6-difluoro-3-methylphenyl)-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213669
(2,6-difluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105175924
1-(2,6-difluoro-3-methylphenyl)-2-ethoxypropan-1-amine
CID 82823295
ethyl 2-(4-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)acetate
CID 79471560
2-methylpropyl 2-[1-(2,6-difluoro-3-methylphenyl)ethyl]imidazole-1-carboxylate
CID 66771583
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine (CID 112744204) is (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine is CCn1ncnc1C(N)c1c(F)ccc(C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is SFZPOQHCZWFDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-3-18-12(16-6-17-18)11(15)9-8(13)5-4-7(2)10(9)14/h4-6,11H,3,15H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine?
(2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 252.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(2-ethyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112744204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).