4,6-dichloro-1,3,5-triazine-2-carboxamide

C4H2Cl2N4O — CID 71440777

IUPAC4,6-dichloro-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H2Cl2N4O/c5-3-8-2(1(7)11)9-4(6)10-3/h(H2,7,11)
InChIKeyYLFJFBWIUASBQR-UHFFFAOYSA-N
MW192.99 g/mol
LogP0.28
Rot. Bonds1

About 4,6-dichloro-1,3,5-triazine-2-carboxamide

4,6-dichloro-1,3,5-triazine-2-carboxamide (PubChem CID 71440777) has the molecular formula C4H2Cl2N4O and a molecular weight of 192.99 g/mol. Its IUPAC name is 4,6-dichloro-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-1,3,5-triazine-2-carboxamide
PubChem CID71440777
Molecular FormulaC4H2Cl2N4O
Molecular Weight192.99 g/mol
Exact Mass191.96
IUPAC Name4,6-dichloro-1,3,5-triazine-2-carboxamide
SMILESNC(=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C4H2Cl2N4O/c5-3-8-2(1(7)11)9-4(6)10-3/h(H2,7,11)
InChIKeyYLFJFBWIUASBQR-UHFFFAOYSA-N
XLogP0.28
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.99
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazine-2,4,6-tricarboxamide
CID 31854
6-Amino-1,3,5-triazine-2,4-dicarboxamide
CID 67444323
4,6-Diamino-1,3,5-triazine-2-carboxamide
CID 67444326
4-Methyl-6-(trichloromethyl)-1,3,5-triazine-2-carboxamide
CID 35174
4-Amino-6-(trichloromethyl)-1,3,5-triazine-2-carboxamide
CID 101135403
4-Chloro-6-(dimethylamino)-1,3,5-triazine-2-carboxamide
CID 119093442

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-dichloro-1,3,5-triazine-2-carboxamide (CID 71440777) is 4,6-dichloro-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-dichloro-1,3,5-triazine-2-carboxamide is NC(=O)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-1,3,5-triazine-2-carboxamide?
The InChIKey is YLFJFBWIUASBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N4O/c5-3-8-2(1(7)11)9-4(6)10-3/h(H2,7,11).
What are the key properties of 4,6-dichloro-1,3,5-triazine-2-carboxamide?
4,6-dichloro-1,3,5-triazine-2-carboxamide has a molecular weight of 192.99 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 71440777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).