N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine

C15H19FN4 — CID 79440449

IUPACN-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
SMILESCn1ncnc1CC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C15H19FN4/c1-20-15(18-10-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3
InChIKeyNHERUTPNSFFTBG-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.03
Rot. Bonds6

About N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine

N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine (PubChem CID 79440449) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
PubChem CID79440449
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
SMILESCn1ncnc1CC(CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C15H19FN4/c1-20-15(18-10-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3
InChIKeyNHERUTPNSFFTBG-UHFFFAOYSA-N
XLogP2.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79443583
N-[2-(2-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79448761
N-[2-(3-fluorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053416
2-(3-bromophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79442684
N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79440371
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79440777
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 112644215
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine (CID 79440449) is N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine is Cn1ncnc1CC(CNC1CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The InChIKey is NHERUTPNSFFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-20-15(18-10-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine has a molecular weight of 274.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79440449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).