N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine

C13H15FN4 — CID 43136251

IUPACN'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
SMILESNCCCN(c1cccc(F)c1)c1cnccn1
InChIInChI=1S/C13H15FN4/c14-11-3-1-4-12(9-11)18(8-2-5-15)13-10-16-6-7-17-13/h1,3-4,6-7,9-10H,2,5,8,15H2
InChIKeyYGGNWRAKSMRGRV-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.10
Rot. Bonds5

About N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine

N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine (PubChem CID 43136251) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
PubChem CID43136251
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
SMILESNCCCN(c1cccc(F)c1)c1cnccn1
InChIInChI=1S/C13H15FN4/c14-11-3-1-4-12(9-11)18(8-2-5-15)13-10-16-6-7-17-13/h1,3-4,6-7,9-10H,2,5,8,15H2
InChIKeyYGGNWRAKSMRGRV-UHFFFAOYSA-N
XLogP2.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63590009
N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136023
N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 115974267
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 104606031
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152450
N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251850
N'-(1,3-benzoxazol-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 61033078
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
N'-(3-fluorophenyl)-N'-(2-pyrazol-1-ylethyl)propane-1,3-diamine
CID 61492057
N-(3-aminopropyl)-N-(3-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 43136163

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine (CID 43136251) is N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine is NCCCN(c1cccc(F)c1)c1cnccn1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The InChIKey is YGGNWRAKSMRGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-11-3-1-4-12(9-11)18(8-2-5-15)13-10-16-6-7-17-13/h1,3-4,6-7,9-10H,2,5,8,15H2.
What are the key properties of N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine?
N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 43136251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).