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

C7H13N5 — CID 23424254

IUPAC2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1ncnc(N)n1
InChIInChI=1S/C7H13N5/c1-3-12(4-2)7-10-5-9-6(8)11-7/h5H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyVGCRQLSQCHXMIS-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.30
Rot. Bonds3

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

2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 23424254) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID23424254
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1ncnc(N)n1
InChIInChI=1S/C7H13N5/c1-3-12(4-2)7-10-5-9-6(8)11-7/h5H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyVGCRQLSQCHXMIS-UHFFFAOYSA-N
XLogP0.30
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 23424254) is 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1ncnc(N)n1.
What is the InChIKey of 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VGCRQLSQCHXMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-3-12(4-2)7-10-5-9-6(8)11-7/h5H,3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 167.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23424254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).