6-ethyl-1,3,5-triazine-2,4-diamine

C5H9N5 — CID 13628

IUPAC6-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(N)n1
InChIInChI=1S/C5H9N5/c1-2-3-8-4(6)10-5(7)9-3/h2H2,1H3,(H4,6,7,8,9,10)
InChIKeyNAMCDLUESQLMOZ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.40
Rot. Bonds1

About 6-ethyl-1,3,5-triazine-2,4-diamine

6-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 13628) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID13628
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name6-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(N)n1
InChIInChI=1S/C5H9N5/c1-2-3-8-4(6)10-5(7)9-3/h2H2,1H3,(H4,6,7,8,9,10)
InChIKeyNAMCDLUESQLMOZ-UHFFFAOYSA-N
XLogP-0.40
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethyl-1,3,5-triazine-2,4-diamine (CID 13628) is 6-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethyl-1,3,5-triazine-2,4-diamine is CCc1nc(N)nc(N)n1.
What is the InChIKey of 6-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NAMCDLUESQLMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c1-2-3-8-4(6)10-5(7)9-3/h2H2,1H3,(H4,6,7,8,9,10).
What are the key properties of 6-ethyl-1,3,5-triazine-2,4-diamine?
6-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 139.16 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).