N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine

C6H12FN5 — CID 118244996

IUPACN'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1n[nH]nc1F
InChIInChI=1S/C6H12FN5/c1-12(4-2-3-8)6-5(7)9-11-10-6/h2-4,8H2,1H3,(H,9,10,11)
InChIKeyCHLIIEMXDYTGAC-UHFFFAOYSA-N
MW173.19 g/mol
LogP-0.27
Rot. Bonds4

About N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine

N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine (PubChem CID 118244996) has the molecular formula C6H12FN5 and a molecular weight of 173.19 g/mol. Its IUPAC name is N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine
PubChem CID118244996
Molecular FormulaC6H12FN5
Molecular Weight173.19 g/mol
Exact Mass173.11
IUPAC NameN'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1n[nH]nc1F
InChIInChI=1S/C6H12FN5/c1-12(4-2-3-8)6-5(7)9-11-10-6/h2-4,8H2,1H3,(H,9,10,11)
InChIKeyCHLIIEMXDYTGAC-UHFFFAOYSA-N
XLogP-0.27
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine (CID 118244996) is N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1n[nH]nc1F.
What is the InChIKey of N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is CHLIIEMXDYTGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN5/c1-12(4-2-3-8)6-5(7)9-11-10-6/h2-4,8H2,1H3,(H,9,10,11).
What are the key properties of N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine?
N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 173.19 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2H-triazol-4-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 118244996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).