methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium

C7H15N4+ — CID 163959047

IUPACmethyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium
SMILESC[NH2+]C1=CCCNC=NCN1
InChIInChI=1S/C7H14N4/c1-8-7-3-2-4-9-5-10-6-11-7/h3,5,8,11H,2,4,6H2,1H3,(H,9,10)/p+1
InChIKeySFXDKDZBMIABRH-UHFFFAOYSA-O
MW155.22 g/mol
LogP-1.41
Rot. Bonds1

About methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium

methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium (PubChem CID 163959047) has the molecular formula C7H15N4+ and a molecular weight of 155.22 g/mol. Its IUPAC name is methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium.

Molecular Properties

Compound Namemethyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium
PubChem CID163959047
Molecular FormulaC7H15N4+
Molecular Weight155.22 g/mol
Exact Mass155.13
IUPAC Namemethyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium
SMILESC[NH2+]C1=CCCNC=NCN1
InChIInChI=1S/C7H14N4/c1-8-7-3-2-4-9-5-10-6-11-7/h3,5,8,11H,2,4,6H2,1H3,(H,9,10)/p+1
InChIKeySFXDKDZBMIABRH-UHFFFAOYSA-O
XLogP-1.41
TPSA53.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethyl-2-[[[(E)-1-(ethylamino)but-1-enyl]amino]methyl]guanidine
CID 59899803
2-[4,4-Bis(ethylamino)but-3-enyl]-1,3-diethylguanidine
CID 54188510
N-methyl-2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-amine
CID 163959048

Frequently Asked Questions

What is the IUPAC name of methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium?
The IUPAC name of methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium (CID 163959047) is methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium.
What is the SMILES notation for methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium?
The canonical SMILES for methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium is C[NH2+]C1=CCCNC=NCN1.
What is the InChIKey of methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium?
The InChIKey is SFXDKDZBMIABRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N4/c1-8-7-3-2-4-9-5-10-6-11-7/h3,5,8,11H,2,4,6H2,1H3,(H,9,10)/p+1.
What are the key properties of methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium?
methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium has a molecular weight of 155.22 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2,5,6,7-tetrahydro-1H-1,3,5-triazonin-9-yl)azanium is sourced from PubChem (CID 163959047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).