2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide

C7H9N5O2 — CID 118936003

IUPAC2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide
SMILESCNC(=O)c1ncnc(C(=O)NC)n1
InChIInChI=1S/C7H9N5O2/c1-8-6(13)4-10-3-11-5(12-4)7(14)9-2/h3H,1-2H3,(H,8,13)(H,9,14)
InChIKeyMEMRDTFOALMDFN-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.41
Rot. Bonds2

About 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide

2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide (PubChem CID 118936003) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide
PubChem CID118936003
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide
SMILESCNC(=O)c1ncnc(C(=O)NC)n1
InChIInChI=1S/C7H9N5O2/c1-8-6(13)4-10-3-11-5(12-4)7(14)9-2/h3H,1-2H3,(H,8,13)(H,9,14)
InChIKeyMEMRDTFOALMDFN-UHFFFAOYSA-N
XLogP-1.41
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Carbamoyl-sym-triazine
CID 54264822
N,4-dimethyl-6-(methylamino)-1,3,5-triazine-2-carboxamide
CID 76316488
N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 140726375
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 35554
4-methyl-N-propyl-1,3,5-triazine-2-carboxamide
CID 53853569
N-ethyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 53912485
4-Ethoxy-1,3,5-triazine-2-carboxamide
CID 54244492
N-butyl-4-methyl-1,3,5-triazine-2-carboxamide
CID 54374561
N-methylsulfanyl-1,3,5-triazine-2-carboxamide
CID 54480967
N-butyl-1,3,5-triazine-2-carboxamide
CID 67685815
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
N-carbamoyl-1,3,5-triazine-2-carboxamide
CID 68122432

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide (CID 118936003) is 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide is CNC(=O)c1ncnc(C(=O)NC)n1.
What is the InChIKey of 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide?
The InChIKey is MEMRDTFOALMDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-8-6(13)4-10-3-11-5(12-4)7(14)9-2/h3H,1-2H3,(H,8,13)(H,9,14).
What are the key properties of 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide?
2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide has a molecular weight of 195.18 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide is sourced from PubChem (CID 118936003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).