3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile

C12H17Cl2N5 — CID 102761879

IUPAC3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N5/c1-8(2)7-19(5-3-4-15)12-10(14)6-9(13)11(17-12)18-16/h6,8H,3,5,7,16H2,1-2H3,(H,17,18)
InChIKeyFOPRWLNQMGBBCG-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.05
Rot. Bonds6

About 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile

3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile (PubChem CID 102761879) has the molecular formula C12H17Cl2N5 and a molecular weight of 302.21 g/mol. Its IUPAC name is 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
PubChem CID102761879
Molecular FormulaC12H17Cl2N5
Molecular Weight302.21 g/mol
Exact Mass301.09
IUPAC Name3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N5/c1-8(2)7-19(5-3-4-15)12-10(14)6-9(13)11(17-12)18-16/h6,8H,3,5,7,16H2,1-2H3,(H,17,18)
InChIKeyFOPRWLNQMGBBCG-UHFFFAOYSA-N
XLogP3.05
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
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-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile (CID 102761879) is 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)c1nc(NN)c(Cl)cc1Cl.
What is the InChIKey of 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile?
The InChIKey is FOPRWLNQMGBBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N5/c1-8(2)7-19(5-3-4-15)12-10(14)6-9(13)11(17-12)18-16/h6,8H,3,5,7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile?
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile has a molecular weight of 302.21 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 102761879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).