methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide

C6H16N4 — CID 58738734

IUPACmethyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide
SMILESC[N-]C1NN(C)C(C)[NH+]1C
InChIInChI=1S/C6H15N4/c1-5-9(3)6(7-2)8-10(5)4/h5-6,8H,1-4H3/q-1/p+1
InChIKeyMMWCSZHDZRRRSG-UHFFFAOYSA-O
MW144.22 g/mol
LogP-1.42
Rot. Bonds1

About methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide

methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide (PubChem CID 58738734) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide.

Molecular Properties

Compound Namemethyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide
PubChem CID58738734
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Namemethyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide
SMILESC[N-]C1NN(C)C(C)[NH+]1C
InChIInChI=1S/C6H15N4/c1-5-9(3)6(7-2)8-10(5)4/h5-6,8H,1-4H3/q-1/p+1
InChIKeyMMWCSZHDZRRRSG-UHFFFAOYSA-O
XLogP-1.42
TPSA33.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide?
The IUPAC name of methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide (CID 58738734) is methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide.
What is the SMILES notation for methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide?
The canonical SMILES for methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide is C[N-]C1NN(C)C(C)[NH+]1C.
What is the InChIKey of methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide?
The InChIKey is MMWCSZHDZRRRSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N4/c1-5-9(3)6(7-2)8-10(5)4/h5-6,8H,1-4H3/q-1/p+1.
What are the key properties of methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide?
methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide has a molecular weight of 144.22 g/mol, XLogP of -1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1,4,5-trimethyl-1,2,4-triazolidin-4-ium-3-yl)azanide is sourced from PubChem (CID 58738734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).