1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine

C12H15FN4 — CID 114829427

IUPAC1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1ncn[nH]1
InChIInChI=1S/C12H15FN4/c1-9(14-7-12-15-8-16-17-12)6-10-2-4-11(13)5-3-10/h2-5,8-9,14H,6-7H2,1H3,(H,15,16,17)
InChIKeyARJIZGMNLSUNRY-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.66
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine

1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine (PubChem CID 114829427) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
PubChem CID114829427
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1ncn[nH]1
InChIInChI=1S/C12H15FN4/c1-9(14-7-12-15-8-16-17-12)6-10-2-4-11(13)5-3-10/h2-5,8-9,14H,6-7H2,1H3,(H,15,16,17)
InChIKeyARJIZGMNLSUNRY-UHFFFAOYSA-N
XLogP1.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 113438644
1-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 60978882
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 61067726
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 115600103
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
1-pyridin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978592
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65362826
1-(3-chloro-4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884734
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine (CID 114829427) is 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCc1ncn[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine?
The InChIKey is ARJIZGMNLSUNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-9(14-7-12-15-8-16-17-12)6-10-2-4-11(13)5-3-10/h2-5,8-9,14H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine?
1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine has a molecular weight of 234.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 114829427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).