4,6-dichloro-1,3-diazinan-5-amine

C4H9Cl2N3 — CID 42608823

IUPAC4,6-dichloro-1,3-diazinan-5-amine
SMILESNC1C(Cl)NCNC1Cl
InChIInChI=1S/C4H9Cl2N3/c5-3-2(7)4(6)9-1-8-3/h2-4,8-9H,1,7H2
InChIKeyZLWIQXJRESSQOY-UHFFFAOYSA-N
MW170.04 g/mol
LogP-0.41
Rot. Bonds

About 4,6-dichloro-1,3-diazinan-5-amine

4,6-dichloro-1,3-diazinan-5-amine (PubChem CID 42608823) has the molecular formula C4H9Cl2N3 and a molecular weight of 170.04 g/mol. Its IUPAC name is 4,6-dichloro-1,3-diazinan-5-amine.

Molecular Properties

Compound Name4,6-dichloro-1,3-diazinan-5-amine
PubChem CID42608823
Molecular FormulaC4H9Cl2N3
Molecular Weight170.04 g/mol
Exact Mass169.02
IUPAC Name4,6-dichloro-1,3-diazinan-5-amine
SMILESNC1C(Cl)NCNC1Cl
InChIInChI=1S/C4H9Cl2N3/c5-3-2(7)4(6)9-1-8-3/h2-4,8-9H,1,7H2
InChIKeyZLWIQXJRESSQOY-UHFFFAOYSA-N
XLogP-0.41
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1,3-diazinan-5-amine?
The IUPAC name of 4,6-dichloro-1,3-diazinan-5-amine (CID 42608823) is 4,6-dichloro-1,3-diazinan-5-amine.
What is the SMILES notation for 4,6-dichloro-1,3-diazinan-5-amine?
The canonical SMILES for 4,6-dichloro-1,3-diazinan-5-amine is NC1C(Cl)NCNC1Cl.
What is the InChIKey of 4,6-dichloro-1,3-diazinan-5-amine?
The InChIKey is ZLWIQXJRESSQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2N3/c5-3-2(7)4(6)9-1-8-3/h2-4,8-9H,1,7H2.
What are the key properties of 4,6-dichloro-1,3-diazinan-5-amine?
4,6-dichloro-1,3-diazinan-5-amine has a molecular weight of 170.04 g/mol, XLogP of -0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1,3-diazinan-5-amine is sourced from PubChem (CID 42608823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).