5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine

C5H5Cl2N5 — CID 88724126

IUPAC5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine
SMILESNN=Cc1nc(Cl)c(Cl)nc1N
InChIInChI=1S/C5H5Cl2N5/c6-3-4(7)12-5(8)2(11-3)1-10-9/h1H,9H2,(H2,8,12)
InChIKeyGCCAFXBMWXUPRM-UHFFFAOYSA-N
MW206.04 g/mol
LogP0.66
Rot. Bonds1

About 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine

5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine (PubChem CID 88724126) has the molecular formula C5H5Cl2N5 and a molecular weight of 206.04 g/mol. Its IUPAC name is 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine.

Molecular Properties

Compound Name5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine
PubChem CID88724126
Molecular FormulaC5H5Cl2N5
Molecular Weight206.04 g/mol
Exact Mass204.99
IUPAC Name5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine
SMILESNN=Cc1nc(Cl)c(Cl)nc1N
InChIInChI=1S/C5H5Cl2N5/c6-3-4(7)12-5(8)2(11-3)1-10-9/h1H,9H2,(H2,8,12)
InChIKeyGCCAFXBMWXUPRM-UHFFFAOYSA-N
XLogP0.66
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine?
The IUPAC name of 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine (CID 88724126) is 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine.
What is the SMILES notation for 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine?
The canonical SMILES for 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine is NN=Cc1nc(Cl)c(Cl)nc1N.
What is the InChIKey of 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine?
The InChIKey is GCCAFXBMWXUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N5/c6-3-4(7)12-5(8)2(11-3)1-10-9/h1H,9H2,(H2,8,12).
What are the key properties of 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine?
5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine has a molecular weight of 206.04 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-methanehydrazonoylpyrazin-2-amine is sourced from PubChem (CID 88724126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).