(4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid

C5H5FN4O2 — CID 173271881

IUPAC(4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1ncnc(F)n1
InChIInChI=1S/C5H5FN4O2/c1-10(5(11)12)4-8-2-7-3(6)9-4/h2H,1H3,(H,11,12)
InChIKeyWFKHVUQLDNXTET-UHFFFAOYSA-N
MW172.12 g/mol
LogP0.12
Rot. Bonds1

About (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid

(4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid (PubChem CID 173271881) has the molecular formula C5H5FN4O2 and a molecular weight of 172.12 g/mol. Its IUPAC name is (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid
PubChem CID173271881
Molecular FormulaC5H5FN4O2
Molecular Weight172.12 g/mol
Exact Mass172.04
IUPAC Name(4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1ncnc(F)n1
InChIInChI=1S/C5H5FN4O2/c1-10(5(11)12)4-8-2-7-3(6)9-4/h2H,1H3,(H,11,12)
InChIKeyWFKHVUQLDNXTET-UHFFFAOYSA-N
XLogP0.12
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-carboxy-N-sym-triazinyl-O-methylisourea
CID 129798727
Methyl(1,3,5-triazin-2-yl)carbamic acid
CID 69335538

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid?
The IUPAC name of (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid (CID 173271881) is (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid.
What is the SMILES notation for (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid?
The canonical SMILES for (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid is CN(C(=O)O)c1ncnc(F)n1.
What is the InChIKey of (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid?
The InChIKey is WFKHVUQLDNXTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN4O2/c1-10(5(11)12)4-8-2-7-3(6)9-4/h2H,1H3,(H,11,12).
What are the key properties of (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid?
(4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid has a molecular weight of 172.12 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,3,5-triazin-2-yl)-methylcarbamic acid is sourced from PubChem (CID 173271881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).