3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine

C11H12F2N4 — CID 82222589

IUPAC3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine
SMILESNCCCn1nncc1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N4/c12-9-3-2-8(6-10(9)13)11-7-15-16-17(11)5-1-4-14/h2-3,6-7H,1,4-5,14H2
InChIKeyMEHNCRCYNJHLHM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.57
Rot. Bonds4

About 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine

3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine (PubChem CID 82222589) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine
PubChem CID82222589
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine
SMILESNCCCn1nncc1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2N4/c12-9-3-2-8(6-10(9)13)11-7-15-16-17(11)5-1-4-14/h2-3,6-7H,1,4-5,14H2
InChIKeyMEHNCRCYNJHLHM-UHFFFAOYSA-N
XLogP1.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3,4-difluorophenyl)triazol-1-yl]acetonitrile
CID 82222595
[4-[[5-(3,4-difluorophenyl)triazol-1-yl]methyl]phenyl]methanamine
CID 82222603
3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine
CID 115031941
3-[5-(2,4-dimethylphenyl)triazol-1-yl]propan-1-amine
CID 82222159
N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine
CID 114689894
2-[5-(4-fluorophenyl)triazol-1-yl]ethanol
CID 82222076
3-[2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]ethoxy]aniline
CID 94963342
2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]acetic acid
CID 82222559
4-(3-propyltriazol-4-yl)aniline
CID 82205210
[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207937
1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine
CID 114689798
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine (CID 82222589) is 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine is NCCCn1nncc1-c1ccc(F)c(F)c1.
What is the InChIKey of 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine?
The InChIKey is MEHNCRCYNJHLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c12-9-3-2-8(6-10(9)13)11-7-15-16-17(11)5-1-4-14/h2-3,6-7H,1,4-5,14H2.
What are the key properties of 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine?
3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine has a molecular weight of 238.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine is sourced from PubChem (CID 82222589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).