(2-amino-3-azaniumylidenecyclopropylidene)azanium

C3H7N3+2 — CID 162419197

IUPAC(2-amino-3-azaniumylidenecyclopropylidene)azanium
SMILESNC1C(=[NH2+])C1=[NH2+]
InChIInChI=1S/C3H5N3/c4-1-2(5)3(1)6/h1,5-6H,4H2/p+2
InChIKeyRWHHZMRYOBOTDX-UHFFFAOYSA-P
MW85.11 g/mol
LogP-4.27
Rot. Bonds

About (2-amino-3-azaniumylidenecyclopropylidene)azanium

(2-amino-3-azaniumylidenecyclopropylidene)azanium (PubChem CID 162419197) has the molecular formula C3H7N3+2 and a molecular weight of 85.11 g/mol. Its IUPAC name is (2-amino-3-azaniumylidenecyclopropylidene)azanium.

Molecular Properties

Compound Name(2-amino-3-azaniumylidenecyclopropylidene)azanium
PubChem CID162419197
Molecular FormulaC3H7N3+2
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name(2-amino-3-azaniumylidenecyclopropylidene)azanium
SMILESNC1C(=[NH2+])C1=[NH2+]
InChIInChI=1S/C3H5N3/c4-1-2(5)3(1)6/h1,5-6H,4H2/p+2
InChIKeyRWHHZMRYOBOTDX-UHFFFAOYSA-P
XLogP-4.27
TPSA77.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-4.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-azaniumylidenecyclopropylidene)azanium?
The IUPAC name of (2-amino-3-azaniumylidenecyclopropylidene)azanium (CID 162419197) is (2-amino-3-azaniumylidenecyclopropylidene)azanium.
What is the SMILES notation for (2-amino-3-azaniumylidenecyclopropylidene)azanium?
The canonical SMILES for (2-amino-3-azaniumylidenecyclopropylidene)azanium is NC1C(=[NH2+])C1=[NH2+].
What is the InChIKey of (2-amino-3-azaniumylidenecyclopropylidene)azanium?
The InChIKey is RWHHZMRYOBOTDX-UHFFFAOYSA-P. The full InChI is InChI=1S/C3H5N3/c4-1-2(5)3(1)6/h1,5-6H,4H2/p+2.
What are the key properties of (2-amino-3-azaniumylidenecyclopropylidene)azanium?
(2-amino-3-azaniumylidenecyclopropylidene)azanium has a molecular weight of 85.11 g/mol, XLogP of -4.27, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-azaniumylidenecyclopropylidene)azanium is sourced from PubChem (CID 162419197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).