methanidyl-methyl-(1H-pyrazol-5-yl)azanium

C5H9N3 — CID 58077337

IUPACmethanidyl-methyl-(1H-pyrazol-5-yl)azanium
SMILES[CH2-][NH+](C)c1ccn[nH]1
InChIInChI=1S/C5H9N3/c1-8(2)5-3-4-6-7-5/h3-4,8H,1H2,2H3,(H,6,7)
InChIKeyAFJXSHGEHHZDPU-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.65
Rot. Bonds1

About methanidyl-methyl-(1H-pyrazol-5-yl)azanium

methanidyl-methyl-(1H-pyrazol-5-yl)azanium (PubChem CID 58077337) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is methanidyl-methyl-(1H-pyrazol-5-yl)azanium.

Molecular Properties

Compound Namemethanidyl-methyl-(1H-pyrazol-5-yl)azanium
PubChem CID58077337
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Namemethanidyl-methyl-(1H-pyrazol-5-yl)azanium
SMILES[CH2-][NH+](C)c1ccn[nH]1
InChIInChI=1S/C5H9N3/c1-8(2)5-3-4-6-7-5/h3-4,8H,1H2,2H3,(H,6,7)
InChIKeyAFJXSHGEHHZDPU-UHFFFAOYSA-N
XLogP-0.65
TPSA33.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanidyl-methyl-(1H-pyrazol-5-yl)azanium?
The IUPAC name of methanidyl-methyl-(1H-pyrazol-5-yl)azanium (CID 58077337) is methanidyl-methyl-(1H-pyrazol-5-yl)azanium.
What is the SMILES notation for methanidyl-methyl-(1H-pyrazol-5-yl)azanium?
The canonical SMILES for methanidyl-methyl-(1H-pyrazol-5-yl)azanium is [CH2-][NH+](C)c1ccn[nH]1.
What is the InChIKey of methanidyl-methyl-(1H-pyrazol-5-yl)azanium?
The InChIKey is AFJXSHGEHHZDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-8(2)5-3-4-6-7-5/h3-4,8H,1H2,2H3,(H,6,7).
What are the key properties of methanidyl-methyl-(1H-pyrazol-5-yl)azanium?
methanidyl-methyl-(1H-pyrazol-5-yl)azanium has a molecular weight of 111.15 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-methyl-(1H-pyrazol-5-yl)azanium is sourced from PubChem (CID 58077337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).