dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium

C8H16N5O+ — CID 4517566

IUPACdimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium
SMILESCn1c(NCC[NH+](C)C)nncc1=O
InChIInChI=1S/C8H15N5O/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3/h6H,4-5H2,1-3H3,(H,9,11)/p+1
InChIKeySNYJWHXZBMWYEK-UHFFFAOYSA-O
MW198.25 g/mol
LogP-2.27
Rot. Bonds4

About dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium

dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium (PubChem CID 4517566) has the molecular formula C8H16N5O+ and a molecular weight of 198.25 g/mol. Its IUPAC name is dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium
PubChem CID4517566
Molecular FormulaC8H16N5O+
Molecular Weight198.25 g/mol
Exact Mass198.13
IUPAC Namedimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium
SMILESCn1c(NCC[NH+](C)C)nncc1=O
InChIInChI=1S/C8H15N5O/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3/h6H,4-5H2,1-3H3,(H,9,11)/p+1
InChIKeySNYJWHXZBMWYEK-UHFFFAOYSA-O
XLogP-2.27
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-2.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium (CID 4517566) is dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium is Cn1c(NCC[NH+](C)C)nncc1=O.
What is the InChIKey of dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium?
The InChIKey is SNYJWHXZBMWYEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N5O/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3/h6H,4-5H2,1-3H3,(H,9,11)/p+1.
What are the key properties of dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium?
dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium has a molecular weight of 198.25 g/mol, XLogP of -2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium is sourced from PubChem (CID 4517566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).