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

C5H10ClN5O — CID 22611110

IUPAC3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride
SMILESCCc1nnc(N)n(N)c1=O.Cl
InChIInChI=1S/C5H9N5O.ClH/c1-2-3-4(11)10(7)5(6)9-8-3;/h2,7H2,1H3,(H2,6,9);1H
InChIKeyMNPLUDKYMURXPO-UHFFFAOYSA-N
MW191.62 g/mol
LogP-1.08
Rot. Bonds1

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

3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride (PubChem CID 22611110) has the molecular formula C5H10ClN5O and a molecular weight of 191.62 g/mol. Its IUPAC name is 3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride.

Molecular Properties

Compound Name3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride
PubChem CID22611110
Molecular FormulaC5H10ClN5O
Molecular Weight191.62 g/mol
Exact Mass191.06
IUPAC Name3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride
SMILESCCc1nnc(N)n(N)c1=O.Cl
InChIInChI=1S/C5H9N5O.ClH/c1-2-3-4(11)10(7)5(6)9-8-3;/h2,7H2,1H3,(H2,6,9);1H
InChIKeyMNPLUDKYMURXPO-UHFFFAOYSA-N
XLogP-1.08
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-1.08
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;hydrochloride?
The IUPAC name of 3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride (CID 22611110) is 3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride.
What is the SMILES notation for 3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride?
The canonical SMILES for 3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride is CCc1nnc(N)n(N)c1=O.Cl.
What is the InChIKey of 3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride?
The InChIKey is MNPLUDKYMURXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O.ClH/c1-2-3-4(11)10(7)5(6)9-8-3;/h2,7H2,1H3,(H2,6,9);1H.
What are the key properties of 3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride?
3,4-diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -1.08, 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;hydrochloride is sourced from PubChem (CID 22611110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).