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

C11H17N5O2 — CID 163241386

IUPAC2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ncnc(C(=O)NCCC)n1
InChIInChI=1S/C11H17N5O2/c1-3-5-12-10(17)8-14-7-15-9(16-8)11(18)13-6-4-2/h7H,3-6H2,1-2H3,(H,12,17)(H,13,18)
InChIKeyKXNOFALUWGAPRE-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.15
Rot. Bonds6

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

2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide (PubChem CID 163241386) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide
PubChem CID163241386
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ncnc(C(=O)NCCC)n1
InChIInChI=1S/C11H17N5O2/c1-3-5-12-10(17)8-14-7-15-9(16-8)11(18)13-6-4-2/h7H,3-6H2,1-2H3,(H,12,17)(H,13,18)
InChIKeyKXNOFALUWGAPRE-UHFFFAOYSA-N
XLogP0.15
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide?
The IUPAC name of 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide (CID 163241386) is 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide?
The canonical SMILES for 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide is CCCNC(=O)c1ncnc(C(=O)NCCC)n1.
What is the InChIKey of 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide?
The InChIKey is KXNOFALUWGAPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-5-12-10(17)8-14-7-15-9(16-8)11(18)13-6-4-2/h7H,3-6H2,1-2H3,(H,12,17)(H,13,18).
What are the key properties of 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide?
2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dipropyl-1,3,5-triazine-2,4-dicarboxamide is sourced from PubChem (CID 163241386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).