(4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid

C4H2Cl2N4O2 — CID 119093743

IUPAC(4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid
SMILESO=C(O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H2Cl2N4O2/c5-1-7-2(6)9-3(8-1)10-4(11)12/h(H,11,12)(H,7,8,9,10)
InChIKeySTGMHUITKPNRAE-UHFFFAOYSA-N
MW208.99 g/mol
LogP1.27
Rot. Bonds1

About (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid

(4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid (PubChem CID 119093743) has the molecular formula C4H2Cl2N4O2 and a molecular weight of 208.99 g/mol. Its IUPAC name is (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Name(4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid
PubChem CID119093743
Molecular FormulaC4H2Cl2N4O2
Molecular Weight208.99 g/mol
Exact Mass207.96
IUPAC Name(4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid
SMILESO=C(O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H2Cl2N4O2/c5-1-7-2(6)9-3(8-1)10-4(11)12/h(H,11,12)(H,7,8,9,10)
InChIKeySTGMHUITKPNRAE-UHFFFAOYSA-N
XLogP1.27
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.99
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid (CID 119093743) is (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid is O=C(O)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is STGMHUITKPNRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N4O2/c5-1-7-2(6)9-3(8-1)10-4(11)12/h(H,11,12)(H,7,8,9,10).
What are the key properties of (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid?
(4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 208.99 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 119093743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).