3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine

C11H19Cl2N5 — CID 102761814

IUPAC3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)Nc1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C11H19Cl2N5/c1-7(4-5-18(2)3)15-10-8(12)6-9(13)11(16-10)17-14/h6-7H,4-5,14H2,1-3H3,(H2,15,16,17)
InChIKeyFSMBQUXHAQUZGE-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.43
Rot. Bonds6

About 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 102761814) has the molecular formula C11H19Cl2N5 and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID102761814
Molecular FormulaC11H19Cl2N5
Molecular Weight292.21 g/mol
Exact Mass291.10
IUPAC Name3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)Nc1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C11H19Cl2N5/c1-7(4-5-18(2)3)15-10-8(12)6-9(13)11(16-10)17-14/h6-7H,4-5,14H2,1-3H3,(H2,15,16,17)
InChIKeyFSMBQUXHAQUZGE-UHFFFAOYSA-N
XLogP2.43
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 102761814) is 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)Nc1nc(NN)c(Cl)cc1Cl.
What is the InChIKey of 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is FSMBQUXHAQUZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2N5/c1-7(4-5-18(2)3)15-10-8(12)6-9(13)11(16-10)17-14/h6-7H,4-5,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 292.21 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 102761814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).