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

C10H14ClN5 — CID 62891363

IUPAC3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile
SMILESCN(CCC#N)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C10H14ClN5/c1-16(6-2-5-12)7-9-8(11)3-4-10(14-9)15-13/h3-4H,2,6-7,13H2,1H3,(H,14,15)
InChIKeyISNKAJZKKMJNQC-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.37
Rot. Bonds5

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

3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile (PubChem CID 62891363) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile
PubChem CID62891363
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile
SMILESCN(CCC#N)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C10H14ClN5/c1-16(6-2-5-12)7-9-8(11)3-4-10(14-9)15-13/h3-4H,2,6-7,13H2,1H3,(H,14,15)
InChIKeyISNKAJZKKMJNQC-UHFFFAOYSA-N
XLogP1.37
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.37
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-methylamino]propanenitrile?
The IUPAC name of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile (CID 62891363) is 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile.
What is the SMILES notation for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile?
The canonical SMILES for 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile is CN(CCC#N)Cc1nc(NN)ccc1Cl.
What is the InChIKey of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile?
The InChIKey is ISNKAJZKKMJNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-16(6-2-5-12)7-9-8(11)3-4-10(14-9)15-13/h3-4H,2,6-7,13H2,1H3,(H,14,15).
What are the key properties of 3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile?
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile has a molecular weight of 239.71 g/mol, XLogP of 1.37, 5 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-methylamino]propanenitrile is sourced from PubChem (CID 62891363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).