(2,3-diaminocyclopropylidene)azanium

C3H8N3+ — CID 54023413

IUPAC(2,3-diaminocyclopropylidene)azanium
SMILESNC1C(=[NH2+])C1N
InChIInChI=1S/C3H7N3/c4-1-2(5)3(1)6/h1-2,6H,4-5H2/p+1
InChIKeyRJPYAWKDFXUTJX-UHFFFAOYSA-O
MW86.12 g/mol
LogP-3.15
Rot. Bonds

About (2,3-diaminocyclopropylidene)azanium

(2,3-diaminocyclopropylidene)azanium (PubChem CID 54023413) has the molecular formula C3H8N3+ and a molecular weight of 86.12 g/mol. Its IUPAC name is (2,3-diaminocyclopropylidene)azanium.

Molecular Properties

Compound Name(2,3-diaminocyclopropylidene)azanium
PubChem CID54023413
Molecular FormulaC3H8N3+
Molecular Weight86.12 g/mol
Exact Mass86.07
IUPAC Name(2,3-diaminocyclopropylidene)azanium
SMILESNC1C(=[NH2+])C1N
InChIInChI=1S/C3H7N3/c4-1-2(5)3(1)6/h1-2,6H,4-5H2/p+1
InChIKeyRJPYAWKDFXUTJX-UHFFFAOYSA-O
XLogP-3.15
TPSA77.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.12
LogP ≤ 5-3.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 (2,3-diaminocyclopropylidene)azanium?
The IUPAC name of (2,3-diaminocyclopropylidene)azanium (CID 54023413) is (2,3-diaminocyclopropylidene)azanium.
What is the SMILES notation for (2,3-diaminocyclopropylidene)azanium?
The canonical SMILES for (2,3-diaminocyclopropylidene)azanium is NC1C(=[NH2+])C1N.
What is the InChIKey of (2,3-diaminocyclopropylidene)azanium?
The InChIKey is RJPYAWKDFXUTJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7N3/c4-1-2(5)3(1)6/h1-2,6H,4-5H2/p+1.
What are the key properties of (2,3-diaminocyclopropylidene)azanium?
(2,3-diaminocyclopropylidene)azanium has a molecular weight of 86.12 g/mol, XLogP of -3.15, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diaminocyclopropylidene)azanium is sourced from PubChem (CID 54023413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).