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

C5H9N5O — CID 17802

IUPAC6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N)n1
InChIInChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)
InChIKeyBVZPBJHXLZKTKX-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.57
Rot. Bonds2

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

6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 17802) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID17802
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N)n1
InChIInChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10)
InChIKeyBVZPBJHXLZKTKX-UHFFFAOYSA-N
XLogP-0.57
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
6-Methoxyguanamine
CID 17803
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
N-(4-Amino-6-ethoxy-1,3,5-triazin-2-yl)urea
CID 13296069
6-(1-Methylethoxy)-1,3,5-triazine-2,4-diamine
CID 32722
2,4-Diamino-6-butoxy-s-triazine
CID 32856
s-Triazine, 4,6-diamino-2-pentoxy-
CID 35117
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
s-Triazine, 4,6-diamino-2-isobutoxy-
CID 34083

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-1,3,5-triazine-2,4-diamine (CID 17802) is 6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N)n1.
What is the InChIKey of 6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BVZPBJHXLZKTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3,(H4,6,7,8,9,10).
What are the key properties of 6-ethoxy-1,3,5-triazine-2,4-diamine?
6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 155.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).