(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine

C12H14F2N4 — CID 114687630

IUPAC(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N4/c1-2-5-18-11(7-16-17-18)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,12H,2,5,15H2,1H3
InChIKeyPALOZWHFHBNAQA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.01
Rot. Bonds4

About (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine

(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 114687630) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
PubChem CID114687630
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(N)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N4/c1-2-5-18-11(7-16-17-18)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,12H,2,5,15H2,1H3
InChIKeyPALOZWHFHBNAQA-UHFFFAOYSA-N
XLogP2.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propyltriazol-4-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105038579
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
(2,4-dichlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038562
(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 114686729
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038798
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(1,3-dimethylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102804469
furan-3-yl-(3-propyltriazol-4-yl)methanamine
CID 114687789
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
N-[(2-fluoro-4-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038772

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine (CID 114687630) is (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(N)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is PALOZWHFHBNAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-2-5-18-11(7-16-17-18)12(15)9-4-3-8(13)6-10(9)14/h3-4,6-7,12H,2,5,15H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine?
(2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 252.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114687630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).