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

C9H13N5O2 — CID 163241387

IUPAC2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide
SMILESCCNC(=O)c1ncnc(C(=O)NCC)n1
InChIInChI=1S/C9H13N5O2/c1-3-10-8(15)6-12-5-13-7(14-6)9(16)11-4-2/h5H,3-4H2,1-2H3,(H,10,15)(H,11,16)
InChIKeyHMHBMZZILVPLQM-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.63
Rot. Bonds4

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

2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide (PubChem CID 163241387) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide
PubChem CID163241387
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide
SMILESCCNC(=O)c1ncnc(C(=O)NCC)n1
InChIInChI=1S/C9H13N5O2/c1-3-10-8(15)6-12-5-13-7(14-6)9(16)11-4-2/h5H,3-4H2,1-2H3,(H,10,15)(H,11,16)
InChIKeyHMHBMZZILVPLQM-UHFFFAOYSA-N
XLogP-0.63
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(5-cyano-2-pyridinyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
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6-cyclopropyl-N,4-diethylpyridine-2-carboxamide
CID 169246826
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
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N-ethyl-4-trimethylstannylbenzamide
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N-ethylbenzamide
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CID 139213338

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide (CID 163241387) is 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide is CCNC(=O)c1ncnc(C(=O)NCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide?
The InChIKey is HMHBMZZILVPLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-3-10-8(15)6-12-5-13-7(14-6)9(16)11-4-2/h5H,3-4H2,1-2H3,(H,10,15)(H,11,16).
What are the key properties of 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide?
2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-1,3,5-triazine-2,4-dicarboxamide is sourced from PubChem (CID 163241387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).