C4H13Cl2N3 — CID 171370188

IUPAC—
SMILESCC(C)C(N)=NN.Cl.Cl
InChIInChI=1S/C4H11N3.2ClH/c1-3(2)4(5)7-6;;/h3H,6H2,1-2H3,(H2,5,7);2*1H
InChIKeyNXFSENHNROBUSL-UHFFFAOYSA-N
MW174.08 g/mol
LogP0.72
Rot. Bonds1

About

(PubChem CID 171370188) has the molecular formula C4H13Cl2N3 and a molecular weight of 174.08 g/mol.

Molecular Properties

Compound Name
PubChem CID171370188
Molecular FormulaC4H13Cl2N3
Molecular Weight174.08 g/mol
Exact Mass173.05
IUPAC Name—
SMILESCC(C)C(N)=NN.Cl.Cl
InChIInChI=1S/C4H11N3.2ClH/c1-3(2)4(5)7-6;;/h3H,6H2,1-2H3,(H2,5,7);2*1H
InChIKeyNXFSENHNROBUSL-UHFFFAOYSA-N
XLogP0.72
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.08
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 171370188) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CC(C)C(N)=NN.Cl.Cl.
What is the InChIKey of ?
The InChIKey is NXFSENHNROBUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3.2ClH/c1-3(2)4(5)7-6;;/h3H,6H2,1-2H3,(H2,5,7);2*1H.
What are the key properties of ?
has a molecular weight of 174.08 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 171370188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).