5-(1-fluoropropyl)-1,2,4-triazin-3-amine

C6H9FN4 — CID 91206406

IUPAC5-(1-fluoropropyl)-1,2,4-triazin-3-amine
SMILESCCC(F)c1cnnc(N)n1
InChIInChI=1S/C6H9FN4/c1-2-4(7)5-3-9-11-6(8)10-5/h3-4H,2H2,1H3,(H2,8,10,11)
InChIKeyNGYZCGPELBYYJH-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.87
Rot. Bonds2

About 5-(1-fluoropropyl)-1,2,4-triazin-3-amine

5-(1-fluoropropyl)-1,2,4-triazin-3-amine (PubChem CID 91206406) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is 5-(1-fluoropropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(1-fluoropropyl)-1,2,4-triazin-3-amine
PubChem CID91206406
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name5-(1-fluoropropyl)-1,2,4-triazin-3-amine
SMILESCCC(F)c1cnnc(N)n1
InChIInChI=1S/C6H9FN4/c1-2-4(7)5-3-9-11-6(8)10-5/h3-4H,2H2,1H3,(H2,8,10,11)
InChIKeyNGYZCGPELBYYJH-UHFFFAOYSA-N
XLogP0.87
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1,2,4-triazin-3-amine
CID 237588
as-Triazine, 5-cyclopropyl-3-methoxy-
CID 3053039
3-Amino-5-(1-fluoro-1-methylethyl)-1,2,4-triazine
CID 22240088
5-(1,1-Difluoroethyl)-1,2,4-triazin-3-amine
CID 22329503
5-Tert-butyl-1,2,4-triazin-3-amine
CID 15564622
3,3,3-Trifluoro-1-(1,2,4-triazin-5-yl)propan-1-amine
CID 82403055
5-(tert-Butyl)-3-hydrazinyl-1,2,4-triazine
CID 12853060
6-Propyl-1,2,4-triazine
CID 20527758
5-Propan-2-yl-1,2,4-triazin-3-amine
CID 21138965
6-Propan-2-yl-1,2,4-triazin-3-amine
CID 21138966
5-Ethyl-1,2,4-triazine
CID 53811889
5-(2-Methylpropyl)-3-propan-2-yl-1,2,4-triazine
CID 57708538

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoropropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(1-fluoropropyl)-1,2,4-triazin-3-amine (CID 91206406) is 5-(1-fluoropropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(1-fluoropropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(1-fluoropropyl)-1,2,4-triazin-3-amine is CCC(F)c1cnnc(N)n1.
What is the InChIKey of 5-(1-fluoropropyl)-1,2,4-triazin-3-amine?
The InChIKey is NGYZCGPELBYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c1-2-4(7)5-3-9-11-6(8)10-5/h3-4H,2H2,1H3,(H2,8,10,11).
What are the key properties of 5-(1-fluoropropyl)-1,2,4-triazin-3-amine?
5-(1-fluoropropyl)-1,2,4-triazin-3-amine has a molecular weight of 156.16 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoropropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 91206406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).