3,4-diamino-6-ethyl-1,2,4-triazin-5-one

C5H9N5O — CID 10130075

IUPAC3,4-diamino-6-ethyl-1,2,4-triazin-5-one
SMILESCCc1nnc(N)n(N)c1=O
InChIInChI=1S/C5H9N5O/c1-2-3-4(11)10(7)5(6)9-8-3/h2,7H2,1H3,(H2,6,9)
InChIKeyNZUQFUDOBZRUNR-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.50
Rot. Bonds1

About 3,4-diamino-6-ethyl-1,2,4-triazin-5-one

3,4-diamino-6-ethyl-1,2,4-triazin-5-one (PubChem CID 10130075) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 3,4-diamino-6-ethyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3,4-diamino-6-ethyl-1,2,4-triazin-5-one
PubChem CID10130075
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name3,4-diamino-6-ethyl-1,2,4-triazin-5-one
SMILESCCc1nnc(N)n(N)c1=O
InChIInChI=1S/C5H9N5O/c1-2-3-4(11)10(7)5(6)9-8-3/h2,7H2,1H3,(H2,6,9)
InChIKeyNZUQFUDOBZRUNR-UHFFFAOYSA-N
XLogP-1.50
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-6-ethyl-1,2,4-triazin-5-one?
The IUPAC name of 3,4-diamino-6-ethyl-1,2,4-triazin-5-one (CID 10130075) is 3,4-diamino-6-ethyl-1,2,4-triazin-5-one.
What is the SMILES notation for 3,4-diamino-6-ethyl-1,2,4-triazin-5-one?
The canonical SMILES for 3,4-diamino-6-ethyl-1,2,4-triazin-5-one is CCc1nnc(N)n(N)c1=O.
What is the InChIKey of 3,4-diamino-6-ethyl-1,2,4-triazin-5-one?
The InChIKey is NZUQFUDOBZRUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-2-3-4(11)10(7)5(6)9-8-3/h2,7H2,1H3,(H2,6,9).
What are the key properties of 3,4-diamino-6-ethyl-1,2,4-triazin-5-one?
3,4-diamino-6-ethyl-1,2,4-triazin-5-one has a molecular weight of 155.16 g/mol, XLogP of -1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-6-ethyl-1,2,4-triazin-5-one is sourced from PubChem (CID 10130075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).