3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile

C13H20ClN5 — CID 55127586

IUPAC3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C13H20ClN5/c1-10(2)8-19(7-3-6-15)9-12-11(14)4-5-13(17-12)18-16/h4-5,10H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyHNYNDMMXIGMXBG-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.39
Rot. Bonds7

About 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile

3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile (PubChem CID 55127586) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile
PubChem CID55127586
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C13H20ClN5/c1-10(2)8-19(7-3-6-15)9-12-11(14)4-5-13(17-12)18-16/h4-5,10H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyHNYNDMMXIGMXBG-UHFFFAOYSA-N
XLogP2.39
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.39
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-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile (CID 55127586) is 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)Cc1nc(NN)ccc1Cl.
What is the InChIKey of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile?
The InChIKey is HNYNDMMXIGMXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-10(2)8-19(7-3-6-15)9-12-11(14)4-5-13(17-12)18-16/h4-5,10H,3,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile?
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile has a molecular weight of 281.79 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 55127586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).