2-((15N)azanylidyne(113C)methyl)(13C)guanidine

C2H4N4 — CID 172880658

IUPAC2-((15N)azanylidyne(113C)methyl)(13C)guanidine
SMILESN/[13C]([15NH2])=N\[13C]#[15N]
InChIInChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)/i1+1,2+1,3+1,4+1
InChIKeyQGBSISYHAICWAH-JCDJMFQYSA-N
MW88.05 g/mol
LogP-1.26
Rot. Bonds

About 2-((15N)azanylidyne(113C)methyl)(13C)guanidine

2-((15N)azanylidyne(113C)methyl)(13C)guanidine (PubChem CID 172880658) has the molecular formula C2H4N4 and a molecular weight of 88.05 g/mol. Its IUPAC name is 2-((15N)azanylidyne(113C)methyl)(13C)guanidine.

Molecular Properties

Compound Name2-((15N)azanylidyne(113C)methyl)(13C)guanidine
PubChem CID172880658
Molecular FormulaC2H4N4
Molecular Weight88.05 g/mol
Exact Mass88.04
IUPAC Name2-((15N)azanylidyne(113C)methyl)(13C)guanidine
SMILESN/[13C]([15NH2])=N\[13C]#[15N]
InChIInChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)/i1+1,2+1,3+1,4+1
InChIKeyQGBSISYHAICWAH-JCDJMFQYSA-N
XLogP-1.26
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.05
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-((15N)azanylidyne(113C)methyl)(13C)guanidine?
The IUPAC name of 2-((15N)azanylidyne(113C)methyl)(13C)guanidine (CID 172880658) is 2-((15N)azanylidyne(113C)methyl)(13C)guanidine.
What is the SMILES notation for 2-((15N)azanylidyne(113C)methyl)(13C)guanidine?
The canonical SMILES for 2-((15N)azanylidyne(113C)methyl)(13C)guanidine is N/[13C]([15NH2])=N\[13C]#[15N].
What is the InChIKey of 2-((15N)azanylidyne(113C)methyl)(13C)guanidine?
The InChIKey is QGBSISYHAICWAH-JCDJMFQYSA-N. The full InChI is InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)/i1+1,2+1,3+1,4+1.
What are the key properties of 2-((15N)azanylidyne(113C)methyl)(13C)guanidine?
2-((15N)azanylidyne(113C)methyl)(13C)guanidine has a molecular weight of 88.05 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-((15N)azanylidyne(113C)methyl)(13C)guanidine is sourced from PubChem (CID 172880658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).