1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine

C15H21FN4 — CID 106281715

IUPAC1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine
SMILESCCCCC(NC(C)c1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN4/c1-3-4-5-14(12-6-8-13(16)9-7-12)19-11(2)15-17-10-18-20-15/h6-11,14,19H,3-5H2,1-2H3,(H,17,18,20)
InChIKeyDMSPQVSWLLLTGX-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.53
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine

1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine (PubChem CID 106281715) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine
PubChem CID106281715
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine
SMILESCCCCC(NC(C)c1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN4/c1-3-4-5-14(12-6-8-13(16)9-7-12)19-11(2)15-17-10-18-20-15/h6-11,14,19H,3-5H2,1-2H3,(H,17,18,20)
InChIKeyDMSPQVSWLLLTGX-UHFFFAOYSA-N
XLogP3.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
CID 43100534
2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945108
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281911
N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
CID 106226041
1-(2-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114167905
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
CID 63478291
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
1-(3-chloro-4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282063

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine (CID 106281715) is 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine is CCCCC(NC(C)c1ncn[nH]1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine?
The InChIKey is DMSPQVSWLLLTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-3-4-5-14(12-6-8-13(16)9-7-12)19-11(2)15-17-10-18-20-15/h6-11,14,19H,3-5H2,1-2H3,(H,17,18,20).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine?
1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine has a molecular weight of 276.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 106281715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).